Diff of the two buildlogs: -- --- b1/build.log 2024-11-21 14:36:57.572670701 +0000 +++ b2/build.log 2024-11-21 14:45:56.320419662 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Dec 24 08:49:08 -12 2025 -I: pbuilder-time-stamp: 1766609348 +I: Current time: Fri Nov 22 04:37:01 +14 2024 +I: pbuilder-time-stamp: 1732199821 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ dpkg-source: info: applying test_espresso_skip_no_error_raised.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/627003/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/D01_modify_environment starting +debug: Running on codethink04-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Nov 21 14:37 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='648534b5450d460aabd46a5b9aed0dba' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='627003' - PS1='# ' - PS2='> ' + INVOCATION_ID=412b76c042da4a4e8e446d6535d7398f + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=3166704 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.X74IFUT5/pbuilderrc_MTTg --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.X74IFUT5/b1 --logfile b1/build.log python-ase_3.23.0-1.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.X74IFUT5/pbuilderrc_4YLj --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.X74IFUT5/b2 --logfile b2/build.log python-ase_3.23.0-1.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink03-arm64 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/627003/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -425,7 +457,7 @@ Get: 277 http://deb.debian.org/debian trixie/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 278 http://deb.debian.org/debian trixie/main arm64 texlive-base all 2024.20241102-1 [22.7 MB] Get: 279 http://deb.debian.org/debian trixie/main arm64 texlive-latex-base all 2024.20241102-1 [1278 kB] -Fetched 198 MB in 2s (125 MB/s) +Fetched 198 MB in 1s (241 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20087 files and directories currently installed.) @@ -1329,8 +1361,8 @@ Setting up tzdata (2024b-3) ... Current default time zone: 'Etc/UTC' -Local time is now: Wed Dec 24 20:50:20 UTC 2025. -Universal Time is now: Wed Dec 24 20:50:20 UTC 2025. +Local time is now: Thu Nov 21 14:37:41 UTC 2024. +Universal Time is now: Thu Nov 21 14:37:41 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libxcb-present0:arm64 (1.17.0-2+b1) ... @@ -1601,7 +1633,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/python-ase-3.23.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../python-ase_3.23.0-1_source.changes +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/python-ase-3.23.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../python-ase_3.23.0-1_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.23.0-1 dpkg-buildpackage: info: source distribution unstable @@ -3048,40 +3084,40 @@ Datafiles: ase-datafiles package not installed [ ] abinit not installed: 'abinit' - [ ] ace cfg= + [ ] ace cfg= [ ] aims not installed: 'aims' - [ ] amber cfg= + [ ] amber cfg= [ ] asap not installed: asap3 [ ] castep not installed: 'castep' [ ] cp2k not installed: 'cp2k' - [ ] crystal cfg= - [ ] demon cfg= - [ ] demonnano cfg= + [ ] crystal cfg= + [ ] demon cfg= + [ ] demonnano cfg= [ ] dftb not installed: No 'dftb' section [ ] dftd3 not installed: 'dftd3' - [ ] dmol cfg= + [ ] dmol cfg= [ ] elk not installed: No 'elk' section [ ] espresso not installed: 'espresso' [ ] exciting not installed: 'exciting' - [ ] gamess_us cfg= - [ ] gaussian cfg= + [ ] gamess_us cfg= + [ ] gaussian cfg= [ ] gpaw not installed: gpaw [ ] gromacs not installed: 'gromacs' - [ ] gulp cfg= - [ ] hotbit cfg= + [ ] gulp cfg= + [ ] hotbit cfg= [ ] lammpslib not installed: missing python wrappers: cannot import lammps [ ] lammpsrun not installed: 'lammps' [ ] mopac not installed: No 'mopac' section [ ] nwchem not installed: No 'nwchem' section [ ] octopus not installed: 'octopus' - [ ] onetep cfg= + [ ] onetep cfg= [ ] openmx not installed: 'openmx' [ ] orca not installed: 'orca' [ ] plumed not installed: [ ] psi4 not installed: psi4 - [ ] qchem cfg= + [ ] qchem cfg= [ ] siesta not installed: No 'siesta' section - [ ] turbomole cfg= + [ ] turbomole cfg= [ ] vasp not installed: 'vasp' * Use --calculators option to select calculators. @@ -3734,7 +3770,7 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html -= 2734 passed, 554 skipped, 1 deselected, 5 xfailed, 15 warnings in 207.89s (0:03:27) = += 2734 passed, 554 skipped, 1 deselected, 5 xfailed, 15 warnings in 184.19s (0:03:04) = make[1]: Leaving directory '/build/reproducible-path/python-ase-3.23.0' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -7535,7 +7571,7 @@ Running Sphinx v7.4.7 WARNING: Calling get_html_theme_path is deprecated. If you are calling it to define html_theme_path, you are safe to remove that code. loading translations [en]... done -Matplotlib created a temporary cache directory at /tmp/matplotlib-06e0q40_ because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-pp3hbo3v because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. running: ./doc/ase/atoms.py ./doc/ase Au-wire.png running: ./doc/ase/formats.py @@ -7545,63 +7581,63 @@ running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png running: ./doc/ase/precon.py -PreconLBFGS: 0 08:55:48 11.881544 5.0770 -PreconLBFGS: 1 08:55:48 9.721479 3.9439 -PreconLBFGS: 2 08:55:48 8.763736 4.8036 -PreconLBFGS: 3 08:55:48 7.844821 3.7443 -PreconLBFGS: 4 08:55:48 6.983034 4.0077 -PreconLBFGS: 5 08:55:48 6.241838 3.4906 -PreconLBFGS: 6 08:55:49 5.431719 3.4055 -PreconLBFGS: 7 08:55:49 4.618000 3.0392 -PreconLBFGS: 8 08:55:49 3.870055 2.6555 -PreconLBFGS: 9 08:55:49 3.227248 2.3331 -PreconLBFGS: 10 08:55:49 2.530719 2.0596 -PreconLBFGS: 11 08:55:49 2.033757 1.7769 -PreconLBFGS: 12 08:55:49 1.512731 1.4761 -PreconLBFGS: 13 08:55:49 1.149587 1.1205 -PreconLBFGS: 14 08:55:49 0.914239 0.8209 -PreconLBFGS: 15 08:55:49 0.788020 0.5450 -PreconLBFGS: 16 08:55:49 0.714341 0.3851 -PreconLBFGS: 17 08:55:49 0.674602 0.2785 -PreconLBFGS: 18 08:55:49 0.652484 0.2171 -PreconLBFGS: 19 08:55:49 0.643906 0.1797 -PreconLBFGS: 20 08:55:49 0.640309 0.1501 -PreconLBFGS: 21 08:55:49 0.638003 0.1324 -PreconLBFGS: 22 08:55:49 0.636776 0.1094 -PreconLBFGS: 23 08:55:49 0.635986 0.0850 -PreconLBFGS: 24 08:55:49 0.635433 0.0522 -PreconLBFGS: 25 08:55:49 0.634973 0.0305 -PreconLBFGS: 26 08:55:49 0.634716 0.0193 -PreconLBFGS: 27 08:55:49 0.634592 0.0132 -PreconLBFGS: 28 08:55:49 0.634522 0.0112 -PreconLBFGS: 29 08:55:49 0.634486 0.0089 -PreconLBFGS: 30 08:55:49 0.634470 0.0083 -PreconLBFGS: 31 08:55:49 0.634462 0.0072 -PreconLBFGS: 32 08:55:49 0.634456 0.0050 -PreconLBFGS: 33 08:55:49 0.634452 0.0030 -PreconLBFGS: 34 08:55:49 0.634449 0.0017 -PreconLBFGS: 35 08:55:49 0.634448 0.0013 -PreconLBFGS: 36 08:55:49 0.634447 0.0009 -PreconLBFGS: 0 08:55:49 11.881544 5.0770 -PreconLBFGS: 1 08:55:49 9.794004 4.0022 -PreconLBFGS: 2 08:55:50 7.255200 3.4746 -PreconLBFGS: 3 08:55:50 5.540273 2.7637 -PreconLBFGS: 4 08:55:50 4.030393 2.2824 -PreconLBFGS: 5 08:55:50 2.861759 1.7993 -PreconLBFGS: 6 08:55:50 1.960588 1.3805 -PreconLBFGS: 7 08:55:50 1.319087 0.9972 -PreconLBFGS: 8 08:55:50 0.913600 0.6490 -PreconLBFGS: 9 08:55:50 0.661975 0.1417 -PreconLBFGS: 10 08:55:50 0.649358 0.0762 -PreconLBFGS: 11 08:55:50 0.637452 0.0305 -PreconLBFGS: 12 08:55:50 0.636014 0.0233 -PreconLBFGS: 13 08:55:50 0.635005 0.0150 -PreconLBFGS: 14 08:55:50 0.634698 0.0076 -PreconLBFGS: 15 08:55:50 0.634546 0.0033 -PreconLBFGS: 16 08:55:50 0.634482 0.0026 -PreconLBFGS: 17 08:55:50 0.634461 0.0020 -PreconLBFGS: 18 08:55:50 0.634453 0.0012 -PreconLBFGS: 19 08:55:50 0.634449 0.0009 +PreconLBFGS: 0 04:42:27 11.881544 5.0770 +PreconLBFGS: 1 04:42:27 9.721479 3.9439 +PreconLBFGS: 2 04:42:27 8.763736 4.8036 +PreconLBFGS: 3 04:42:27 7.844821 3.7443 +PreconLBFGS: 4 04:42:27 6.983034 4.0077 +PreconLBFGS: 5 04:42:27 6.241838 3.4906 +PreconLBFGS: 6 04:42:27 5.431719 3.4055 +PreconLBFGS: 7 04:42:27 4.618000 3.0392 +PreconLBFGS: 8 04:42:27 3.870055 2.6555 +PreconLBFGS: 9 04:42:27 3.227248 2.3331 +PreconLBFGS: 10 04:42:27 2.530719 2.0596 +PreconLBFGS: 11 04:42:27 2.033757 1.7769 +PreconLBFGS: 12 04:42:27 1.512731 1.4761 +PreconLBFGS: 13 04:42:28 1.149587 1.1205 +PreconLBFGS: 14 04:42:28 0.914239 0.8209 +PreconLBFGS: 15 04:42:28 0.788020 0.5450 +PreconLBFGS: 16 04:42:28 0.714341 0.3851 +PreconLBFGS: 17 04:42:28 0.674602 0.2785 +PreconLBFGS: 18 04:42:28 0.652484 0.2171 +PreconLBFGS: 19 04:42:28 0.643906 0.1797 +PreconLBFGS: 20 04:42:28 0.640309 0.1501 +PreconLBFGS: 21 04:42:28 0.638003 0.1324 +PreconLBFGS: 22 04:42:28 0.636776 0.1094 +PreconLBFGS: 23 04:42:28 0.635986 0.0850 +PreconLBFGS: 24 04:42:28 0.635433 0.0522 +PreconLBFGS: 25 04:42:28 0.634973 0.0305 +PreconLBFGS: 26 04:42:28 0.634716 0.0193 +PreconLBFGS: 27 04:42:28 0.634592 0.0132 +PreconLBFGS: 28 04:42:28 0.634522 0.0112 +PreconLBFGS: 29 04:42:28 0.634486 0.0089 +PreconLBFGS: 30 04:42:28 0.634470 0.0083 +PreconLBFGS: 31 04:42:28 0.634462 0.0072 +PreconLBFGS: 32 04:42:28 0.634456 0.0050 +PreconLBFGS: 33 04:42:28 0.634452 0.0030 +PreconLBFGS: 34 04:42:28 0.634449 0.0017 +PreconLBFGS: 35 04:42:28 0.634448 0.0013 +PreconLBFGS: 36 04:42:28 0.634447 0.0009 +PreconLBFGS: 0 04:42:28 11.881544 5.0770 +PreconLBFGS: 1 04:42:28 9.794004 4.0022 +PreconLBFGS: 2 04:42:28 7.255200 3.4746 +PreconLBFGS: 3 04:42:28 5.540273 2.7637 +PreconLBFGS: 4 04:42:28 4.030393 2.2824 +PreconLBFGS: 5 04:42:28 2.861759 1.7993 +PreconLBFGS: 6 04:42:28 1.960588 1.3805 +PreconLBFGS: 7 04:42:28 1.319087 0.9972 +PreconLBFGS: 8 04:42:28 0.913600 0.6490 +PreconLBFGS: 9 04:42:29 0.661975 0.1417 +PreconLBFGS: 10 04:42:29 0.649358 0.0762 +PreconLBFGS: 11 04:42:29 0.637452 0.0305 +PreconLBFGS: 12 04:42:29 0.636014 0.0233 +PreconLBFGS: 13 04:42:29 0.635005 0.0150 +PreconLBFGS: 14 04:42:29 0.634698 0.0076 +PreconLBFGS: 15 04:42:29 0.634546 0.0033 +PreconLBFGS: 16 04:42:29 0.634482 0.0026 +PreconLBFGS: 17 04:42:29 0.634461 0.0020 +PreconLBFGS: 18 04:42:29 0.634453 0.0012 +PreconLBFGS: 19 04:42:29 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/xrdebye.py ./doc/ase saxs.png @@ -7719,21 +7755,21 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 08:56:14 1.419426 9.802896 -BFGS: 1 08:56:14 2.139894 7.932239 -BFGS: 2 08:56:14 1.280719 4.990243 -BFGS: 3 08:56:14 2.298637 21.460333 -BFGS: 4 08:56:14 1.122419 2.768433 -BFGS: 5 08:56:14 1.081517 1.343938 -BFGS: 6 08:56:14 1.070848 0.236320 -BFGS: 7 08:56:14 1.070543 0.015684 -BFGS: 8 08:56:14 1.070541 0.000166 +BFGS: 0 04:42:51 1.419426 9.802896 +BFGS: 1 04:42:51 2.139894 7.932239 +BFGS: 2 04:42:51 1.280719 4.990243 +BFGS: 3 04:42:51 2.298637 21.460333 +BFGS: 4 04:42:51 1.122419 2.768433 +BFGS: 5 04:42:51 1.081517 1.343938 +BFGS: 6 04:42:51 1.070848 0.236320 +BFGS: 7 04:42:51 1.070543 0.015684 +BFGS: 8 04:42:51 1.070541 0.000166 relaxed : True id : 2 -unique_id : 236fce61d21bee91f13700c2294676c6 -ctime : 25.981968655950386 -mtime : 25.981968655950386 -user : pbuilder1 +unique_id : 9942b4acd7a1e9d18a8d92d80d428709 +ctime : 24.891594134361156 +mtime : 24.891594134361156 +user : pbuilder2 numbers : [1 1] positions : [[-1.06771256e-17 1.76569494e-18 -3.95240142e-02] [ 1.86927481e-18 2.39177570e-18 7.39524014e-01]] @@ -7891,9 +7927,9 @@ ./doc/gallery sqs_cell.png running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:35 11.689927 1.0797 -BFGSLineSearch: 1[ 2] 08:57:35 11.670814 0.4090 -BFGSLineSearch: 2[ 4] 08:57:35 11.625880 0.0409 +BFGSLineSearch: 0[ 0] 04:43:54 11.689927 1.0797 +BFGSLineSearch: 1[ 2] 04:43:54 11.670814 0.4090 +BFGSLineSearch: 2[ 4] 04:43:54 11.625880 0.0409 Adsorption energy: 0.3235194223176432 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/interface-h2o.py @@ -7923,119 +7959,119 @@ [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:39 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:39 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:39 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:39 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:57 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:57 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:57 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:57 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:39 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:39 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:39 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:39 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:57 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:57 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:57 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:57 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 08:57:39 4.969997 1.013167 -MDMin: 1 08:57:40 4.922173 0.852585 -MDMin: 2 08:57:40 4.833353 0.471496 -MDMin: 3 08:57:40 4.783147 0.144529 -MDMin: 4 08:57:40 4.762840 0.108253 -MDMin: 5 08:57:40 4.748802 0.124316 -MDMin: 6 08:57:40 4.738339 0.112472 -MDMin: 7 08:57:40 4.734398 0.137277 -MDMin: 8 08:57:40 4.733206 0.129119 -MDMin: 9 08:57:40 4.730681 0.106635 -MDMin: 10 08:57:40 4.728545 0.079630 -MDMin: 11 08:57:40 4.726697 0.067014 -MDMin: 12 08:57:40 4.724795 0.055330 -MDMin: 13 08:57:40 4.723081 0.039372 +MDMin: 0 04:43:57 4.969997 1.013167 +MDMin: 1 04:43:57 4.922173 0.852585 +MDMin: 2 04:43:57 4.833353 0.471496 +MDMin: 3 04:43:57 4.783147 0.144529 +MDMin: 4 04:43:57 4.762840 0.108253 +MDMin: 5 04:43:57 4.748802 0.124316 +MDMin: 6 04:43:57 4.738339 0.112472 +MDMin: 7 04:43:57 4.734398 0.137277 +MDMin: 8 04:43:57 4.733206 0.129119 +MDMin: 9 04:43:57 4.730681 0.106635 +MDMin: 10 04:43:57 4.728545 0.079630 +MDMin: 11 04:43:57 4.726697 0.067014 +MDMin: 12 04:43:58 4.724795 0.055330 +MDMin: 13 04:43:58 4.723081 0.039372 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:40 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:40 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:40 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:40 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:58 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:58 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:58 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:58 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:40 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:40 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:40 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:40 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:58 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:58 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:58 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:58 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 08:57:40 7.907337 7.446816 -MDMin: 1 08:57:40 6.168331 3.684232 -MDMin: 2 08:57:40 5.448313 0.969267 -MDMin: 3 08:57:40 5.248040 0.433781 -MDMin: 4 08:57:40 5.244261 0.367859 -MDMin: 5 08:57:40 5.233889 0.261533 -MDMin: 6 08:57:40 5.217233 0.238669 -MDMin: 7 08:57:40 5.202457 0.172860 -MDMin: 8 08:57:40 5.189948 0.131786 -MDMin: 9 08:57:40 5.181586 0.103072 -MDMin: 10 08:57:41 5.178987 0.114548 -MDMin: 11 08:57:41 5.178819 0.101284 -MDMin: 12 08:57:41 5.178339 0.067445 -MDMin: 13 08:57:41 5.177568 0.051243 -MDMin: 14 08:57:41 5.176716 0.043470 +MDMin: 0 04:43:58 7.907337 7.446816 +MDMin: 1 04:43:58 6.168331 3.684232 +MDMin: 2 04:43:58 5.448313 0.969267 +MDMin: 3 04:43:58 5.248040 0.433781 +MDMin: 4 04:43:58 5.244261 0.367859 +MDMin: 5 04:43:58 5.233889 0.261533 +MDMin: 6 04:43:58 5.217233 0.238669 +MDMin: 7 04:43:58 5.202457 0.172860 +MDMin: 8 04:43:58 5.189948 0.131786 +MDMin: 9 04:43:58 5.181586 0.103072 +MDMin: 10 04:43:58 5.178987 0.114548 +MDMin: 11 04:43:58 5.178819 0.101284 +MDMin: 12 04:43:58 5.178339 0.067445 +MDMin: 13 04:43:58 5.177568 0.051243 +MDMin: 14 04:43:58 5.176716 0.043470 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:41 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:41 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:41 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:58 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:58 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:58 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:58 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 08:57:41 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 08:57:41 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 08:57:41 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 04:43:58 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 04:43:58 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 04:43:58 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 04:43:58 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 08:57:41 5.433815 1.152831 -MDMin: 1 08:57:41 5.352153 1.037842 -MDMin: 2 08:57:41 5.179224 0.774873 -MDMin: 3 08:57:41 5.033743 0.467209 -MDMin: 4 08:57:41 4.952170 0.268933 -MDMin: 5 08:57:41 4.905035 0.159286 -MDMin: 6 08:57:41 4.877860 0.128152 -MDMin: 7 08:57:41 4.868891 0.139466 -MDMin: 8 08:57:41 4.868163 0.130688 -MDMin: 9 08:57:41 4.866419 0.110336 -MDMin: 10 08:57:41 4.864367 0.094365 -MDMin: 11 08:57:41 4.862194 0.089287 -MDMin: 12 08:57:41 4.859895 0.085385 -MDMin: 13 08:57:41 4.857565 0.080125 -MDMin: 14 08:57:41 4.855300 0.071964 -MDMin: 15 08:57:41 4.853137 0.058761 -MDMin: 16 08:57:41 4.851083 0.046082 +MDMin: 0 04:43:58 5.433815 1.152831 +MDMin: 1 04:43:58 5.352153 1.037842 +MDMin: 2 04:43:58 5.179224 0.774873 +MDMin: 3 04:43:58 5.033743 0.467209 +MDMin: 4 04:43:58 4.952170 0.268933 +MDMin: 5 04:43:58 4.905035 0.159286 +MDMin: 6 04:43:58 4.877860 0.128152 +MDMin: 7 04:43:58 4.868891 0.139466 +MDMin: 8 04:43:58 4.868163 0.130688 +MDMin: 9 04:43:58 4.866419 0.110336 +MDMin: 10 04:43:58 4.864367 0.094365 +MDMin: 11 04:43:58 4.862194 0.089287 +MDMin: 12 04:43:58 4.859895 0.085385 +MDMin: 13 04:43:58 4.857565 0.080125 +MDMin: 14 04:43:58 4.855300 0.071964 +MDMin: 15 04:43:59 4.853137 0.058761 +MDMin: 16 04:43:59 4.851083 0.046082 ./doc/tutorials test.txt running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 08:57:41 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 04:43:59 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 04:43:59 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 3.730166 1.6460 -BFGSLineSearch: 1[ 2] 08:57:41 3.546230 0.2605 -BFGSLineSearch: 2[ 4] 08:57:41 3.513795 0.1080 -BFGSLineSearch: 3[ 6] 08:57:41 3.502279 0.0500 +BFGSLineSearch: 0[ 0] 04:43:59 3.730166 1.6460 +BFGSLineSearch: 1[ 2] 04:43:59 3.546230 0.2605 +BFGSLineSearch: 2[ 4] 04:43:59 3.513795 0.1080 +BFGSLineSearch: 3[ 6] 04:43:59 3.502279 0.0500 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 3.764262 1.0444 -BFGSLineSearch: 1[ 2] 08:57:41 3.708446 0.1203 -BFGSLineSearch: 2[ 4] 08:57:41 3.695835 0.0668 -BFGSLineSearch: 3[ 6] 08:57:41 3.691660 0.0618 -BFGSLineSearch: 4[ 7] 08:57:41 3.690089 0.0300 +BFGSLineSearch: 0[ 0] 04:43:59 3.764262 1.0444 +BFGSLineSearch: 1[ 2] 04:43:59 3.708446 0.1203 +BFGSLineSearch: 2[ 4] 04:43:59 3.695835 0.0668 +BFGSLineSearch: 3[ 6] 04:43:59 3.691660 0.0618 +BFGSLineSearch: 4[ 7] 04:43:59 3.690089 0.0300 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 3.580034 0.6521 -BFGSLineSearch: 1[ 1] 08:57:41 3.544894 0.1627 -BFGSLineSearch: 2[ 3] 08:57:41 3.516850 0.1946 -BFGSLineSearch: 3[ 4] 08:57:41 3.508545 0.1325 -BFGSLineSearch: 4[ 5] 08:57:41 3.503316 0.1022 -BFGSLineSearch: 5[ 6] 08:57:41 3.500392 0.0550 -BFGSLineSearch: 6[ 8] 08:57:41 3.499584 0.0392 +BFGSLineSearch: 0[ 0] 04:43:59 3.580034 0.6521 +BFGSLineSearch: 1[ 1] 04:43:59 3.544894 0.1627 +BFGSLineSearch: 2[ 3] 04:43:59 3.516850 0.1946 +BFGSLineSearch: 3[ 4] 04:43:59 3.508545 0.1325 +BFGSLineSearch: 4[ 5] 04:43:59 3.503316 0.1022 +BFGSLineSearch: 5[ 6] 04:43:59 3.500392 0.0550 +BFGSLineSearch: 6[ 8] 04:43:59 3.499584 0.0392 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:57:41 3.463634 0.5332 -BFGSLineSearch: 1[ 2] 08:57:41 3.356702 0.4028 -BFGSLineSearch: 2[ 3] 08:57:41 3.333298 0.1536 -BFGSLineSearch: 3[ 4] 08:57:41 3.322604 0.1003 -BFGSLineSearch: 4[ 5] 08:57:41 3.318477 0.0658 -BFGSLineSearch: 5[ 6] 08:57:41 3.316534 0.0483 +BFGSLineSearch: 0[ 0] 04:43:59 3.463634 0.5332 +BFGSLineSearch: 1[ 2] 04:43:59 3.356702 0.4028 +BFGSLineSearch: 2[ 3] 04:43:59 3.333298 0.1536 +BFGSLineSearch: 3[ 4] 04:43:59 3.322604 0.1003 +BFGSLineSearch: 4[ 5] 04:43:59 3.318477 0.0658 +BFGSLineSearch: 5[ 6] 04:43:59 3.316534 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -8080,582 +8116,583 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 523 +References: 524 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu8Pt16 -1.536 -3 Cu20Pt4 -0.873 -4 Cu20Pt4 -1.238 -5 Cu9Pt15 -1.573 -6 Cu5Pt19 -1.354 -7 CuPt23 -0.224 -8 Cu11Pt13 -1.718 -9 Cu19Pt5 -0.856 -10 Cu15Pt9 -1.746 -11 Cu12Pt12 -1.138 -12 Cu21Pt3 -0.751 -13 Cu5Pt19 -1.192 -14 CuPt23 -0.224 -15 Cu12Pt12 -1.626 -16 Cu14Pt10 -1.483 -17 Cu19Pt5 -0.723 -18 Cu12Pt12 -1.494 -19 Cu23Pt -0.309 -20 Cu6Pt18 -0.891 -21 Cu17Pt7 -1.670 -22 Cu20Pt4 -1.104 -23 Cu23Pt -0.309 -24 Cu12Pt12 -1.893 -25 Cu5Pt19 -1.108 -26 Cu13Pt11 -1.756 -27 Cu4Pt20 -0.946 -28 Cu13Pt11 -1.950 -29 Cu18Pt6 -1.567 -30 Cu7Pt17 -1.488 -31 Cu3Pt21 -0.742 -32 Cu5Pt19 -1.298 -33 Cu7Pt17 -1.354 -34 Cu18Pt6 -1.106 -35 Cu19Pt5 -1.107 -36 Cu3Pt21 -0.770 -37 Cu20Pt4 -0.789 -38 Cu14Pt10 -1.728 -39 Cu23Pt -0.309 -40 Cu5Pt19 -0.814 -41 Cu21Pt3 -0.891 -42 Cu8Pt16 -1.751 -43 Cu11Pt13 -2.057 -44 Cu13Pt11 -1.918 -45 Cu2Pt22 -0.577 -46 Cu21Pt3 -0.948 -47 Cu23Pt -0.359 -48 Cu12Pt12 -0.605 -49 Cu7Pt17 -0.822 -50 Cu22Pt2 -0.689 -51 Cu23Pt -0.309 -52 Cu14Pt10 -1.906 -53 Cu21Pt3 -0.885 -54 Cu12Pt12 -1.269 -55 Cu17Pt7 -1.713 -56 Cu19Pt5 -0.701 -57 Cu7Pt17 -1.628 -58 Cu13Pt11 -1.000 -59 Cu2Pt22 -0.577 -60 Cu14Pt10 -0.873 -61 Cu9Pt15 -1.723 -62 Cu9Pt15 -1.741 -63 Cu11Pt13 -1.718 -64 CuPt23 -0.336 -65 Cu5Pt19 -1.298 -66 Cu15Pt9 -1.644 -67 Cu17Pt7 -1.256 -68 Cu16Pt8 -1.698 -69 Cu18Pt6 -1.194 -70 Cu2Pt22 -0.545 -71 Cu17Pt7 -1.086 -72 Cu22Pt2 -0.560 -73 Cu13Pt11 -1.482 -74 Cu9Pt15 -1.276 -75 Cu12Pt12 -1.991 -76 Cu2Pt22 -0.545 -77 Cu8Pt16 -1.486 -78 Cu11Pt13 -1.921 -79 Cu3Pt21 -0.932 -80 Cu17Pt7 -0.695 -81 Cu9Pt15 -1.439 -82 Cu14Pt10 -1.914 -83 Cu14Pt10 -1.794 -84 Cu11Pt13 -2.002 -85 Cu12Pt12 -1.647 -86 Cu14Pt10 -1.562 -87 Cu12Pt12 -1.570 -88 Cu16Pt8 -1.807 -89 Cu15Pt9 -1.825 -90 Cu21Pt3 -0.893 -91 Cu2Pt22 -0.509 -92 Cu11Pt13 -1.484 -93 Cu11Pt13 -1.846 -94 Cu8Pt16 -1.683 -95 Cu10Pt14 -0.707 -96 Cu20Pt4 -1.025 -97 Cu12Pt12 -1.307 -98 Cu5Pt19 -1.185 -99 Cu16Pt8 -1.679 -100 Cu9Pt15 -1.333 -101 Cu18Pt6 -1.177 -102 Cu6Pt18 -1.386 -103 Cu11Pt13 -0.931 -104 Cu14Pt10 -1.285 -105 Cu20Pt4 -0.896 -106 Cu11Pt13 -1.843 -107 Cu14Pt10 -1.788 -108 Cu11Pt13 -0.831 -109 Cu14Pt10 -2.006 -110 Cu7Pt17 -1.055 -111 Cu15Pt9 -1.465 -112 Cu12Pt12 -1.775 -113 Cu10Pt14 -1.609 -114 Cu21Pt3 -0.898 -115 Cu17Pt7 -1.587 -116 Cu8Pt16 -1.345 -117 Cu6Pt18 -1.140 -118 Cu14Pt10 -1.719 -119 Cu16Pt8 -1.508 -120 Cu16Pt8 -1.800 -121 Cu21Pt3 -0.791 -122 Cu7Pt17 -1.423 -123 Cu12Pt12 -1.596 -124 Cu22Pt2 -0.657 -125 Cu7Pt17 -1.545 -126 Cu18Pt6 -1.136 -127 Cu15Pt9 -1.517 -128 Cu8Pt16 -1.648 -129 Cu13Pt11 -1.589 -130 Cu23Pt -0.309 -131 Cu9Pt15 -1.963 -132 Cu21Pt3 -0.851 -133 Cu8Pt16 -1.751 -134 Cu14Pt10 -1.742 -135 Cu13Pt11 -1.775 -136 Cu12Pt12 -1.788 -137 Cu16Pt8 -1.192 -138 Cu14Pt10 -1.604 -139 Cu18Pt6 -1.426 -140 Cu11Pt13 -2.045 -141 Cu11Pt13 -1.751 -142 Cu16Pt8 -1.890 -143 Cu11Pt13 -1.017 -144 Cu8Pt16 -1.831 -145 Cu5Pt19 -1.124 -146 Cu4Pt20 -0.886 -147 Cu19Pt5 -1.399 -148 Cu8Pt16 -1.040 -149 Cu3Pt21 -0.950 -150 Cu3Pt21 -0.932 -151 Cu7Pt17 -1.270 -152 Cu23Pt -0.309 -153 Cu15Pt9 -1.805 -154 Cu18Pt6 -1.527 -155 Cu7Pt17 -1.465 -156 Cu16Pt8 -1.709 -157 Cu3Pt21 -0.767 -158 Cu9Pt15 -1.703 -159 Cu8Pt16 -0.088 -160 Cu8Pt16 -1.621 -161 Cu22Pt2 -0.676 -162 Cu7Pt17 -1.194 -163 Cu12Pt12 -1.557 -164 CuPt23 -0.224 -165 Cu10Pt14 -1.866 -166 Cu16Pt8 -1.729 -167 Cu3Pt21 -0.742 -168 Cu10Pt14 -1.716 -169 Cu17Pt7 -1.731 -170 Cu19Pt5 -1.358 -171 Cu16Pt8 -1.661 -172 Cu16Pt8 -1.707 -173 Cu9Pt15 -1.942 -174 Cu15Pt9 -0.896 -175 Cu22Pt2 -0.657 -176 CuPt23 -0.224 -177 Cu16Pt8 -1.433 -178 Cu13Pt11 -1.130 -179 Cu13Pt11 -1.499 -180 Cu5Pt19 -1.242 -181 Cu14Pt10 -1.776 -182 Cu17Pt7 -0.942 -183 Cu7Pt17 -1.257 -184 Cu14Pt10 -1.731 -185 Cu19Pt5 -1.248 -186 Cu23Pt -0.359 -187 Cu17Pt7 -1.789 -188 Cu2Pt22 -0.509 -189 Cu5Pt19 -1.198 -190 Cu9Pt15 -1.452 -191 Cu6Pt18 -1.135 -192 Cu6Pt18 -1.535 -193 Cu15Pt9 -1.059 -194 Cu8Pt16 -1.654 -195 Cu21Pt3 -0.784 -196 Cu15Pt9 -2.091 -197 Cu17Pt7 -1.637 -198 Cu5Pt19 -1.125 -199 Cu14Pt10 -1.807 -200 Cu15Pt9 -1.621 -201 Cu16Pt8 -1.674 -202 Cu18Pt6 -1.670 -203 Cu5Pt19 -1.292 -204 Cu17Pt7 -1.695 -205 Cu18Pt6 -1.559 -206 Cu14Pt10 -2.009 -207 Cu5Pt19 -1.218 -208 Cu18Pt6 -1.337 -209 Cu2Pt22 -0.570 -210 Cu7Pt17 -1.234 -211 Cu9Pt15 -1.267 -212 Cu6Pt18 -1.300 -213 Cu12Pt12 -1.552 -214 Cu6Pt18 -1.436 -215 Cu8Pt16 -1.779 -216 Cu2Pt22 -0.501 -217 Cu7Pt17 -1.664 -218 Cu13Pt11 -1.101 -219 Cu14Pt10 -1.986 -220 Cu5Pt19 -1.239 -221 Cu8Pt16 -0.539 -222 Cu7Pt17 -1.591 -223 Cu12Pt12 -1.918 -224 Cu12Pt12 -1.705 -225 Cu19Pt5 -1.430 -226 Cu13Pt11 -1.366 -227 Cu11Pt13 -1.390 -228 Cu8Pt16 -1.494 -229 Cu6Pt18 -1.324 -230 Cu21Pt3 -0.744 -231 Cu21Pt3 -0.779 -232 Cu16Pt8 -1.680 -233 Cu10Pt14 -1.921 -234 Cu14Pt10 -1.775 -235 Cu16Pt8 -1.779 -236 Cu22Pt2 -0.753 -237 Cu20Pt4 -1.290 -238 Cu13Pt11 -1.764 -239 Cu10Pt14 -2.020 -240 Cu18Pt6 -1.595 -241 Cu6Pt18 -1.037 -242 Cu7Pt17 -1.622 -243 Cu14Pt10 -1.796 -244 Cu17Pt7 -1.882 -245 Cu8Pt16 -1.346 -246 Cu14Pt10 -1.939 -247 Cu4Pt20 -1.168 -248 Cu10Pt14 -1.723 -249 Cu4Pt20 -0.837 -250 Cu6Pt18 -1.082 -251 Cu4Pt20 -0.831 -252 Cu13Pt11 -1.776 -253 Cu18Pt6 -1.606 -254 Cu11Pt13 -2.183 -255 Cu8Pt16 -1.641 -256 Cu9Pt15 -1.963 -257 Cu9Pt15 -0.280 -258 Cu19Pt5 -1.423 -259 Cu7Pt17 -1.204 -260 Cu12Pt12 -1.676 -261 Cu12Pt12 -1.592 -262 Cu21Pt3 -0.898 -263 Cu6Pt18 -1.233 -264 Cu10Pt14 -2.066 -265 Cu4Pt20 -0.943 -266 Cu11Pt13 -1.843 -267 Cu11Pt13 -1.641 -268 Cu15Pt9 -1.758 -269 Cu11Pt13 -1.936 -270 Cu9Pt15 -1.837 -271 Cu10Pt14 -1.887 -272 Cu15Pt9 -1.304 -273 Cu11Pt13 -1.872 -274 Cu13Pt11 -1.811 -275 Cu15Pt9 -0.400 -276 Cu13Pt11 -2.100 -277 CuPt23 -0.224 -278 Cu19Pt5 -1.457 -279 Cu11Pt13 -1.878 -280 Cu15Pt9 -0.400 -281 Cu20Pt4 -1.256 -282 Cu12Pt12 -1.551 -283 Cu10Pt14 -2.008 -284 Cu7Pt17 -1.367 -285 Cu18Pt6 -1.672 -286 Cu21Pt3 -0.660 -287 Cu17Pt7 -1.764 -288 Cu9Pt15 -1.798 -289 Cu23Pt -0.309 -290 Cu8Pt16 -1.666 -291 Cu21Pt3 -1.007 -292 Cu21Pt3 -0.919 -293 Cu14Pt10 -2.032 -294 Cu17Pt7 -1.829 -295 Cu16Pt8 -1.881 -296 Cu20Pt4 -1.067 -297 Cu3Pt21 -0.729 -298 Cu3Pt21 -0.781 -299 Cu8Pt16 -0.975 -300 Cu13Pt11 -1.973 -301 Cu3Pt21 -0.742 -302 Cu21Pt3 -0.977 -303 Cu23Pt -0.309 -304 Cu4Pt20 -0.946 -305 Cu19Pt5 -1.327 -306 Cu19Pt5 -1.273 -307 Cu3Pt21 -0.727 -308 Cu8Pt16 -1.555 -309 Cu3Pt21 -0.776 -310 Cu17Pt7 -1.571 -311 Cu6Pt18 -1.281 -312 Cu18Pt6 -1.269 -313 Cu5Pt19 -1.208 -314 Cu12Pt12 -1.861 -315 Cu5Pt19 -1.145 -316 Cu14Pt10 -1.229 -317 Cu14Pt10 -1.706 -318 Cu5Pt19 -1.344 -319 Cu17Pt7 -0.850 -320 Cu11Pt13 -1.298 -321 Cu12Pt12 -2.142 -322 Cu18Pt6 -1.275 -323 Cu14Pt10 -1.785 -324 Cu12Pt12 -1.678 -325 Cu15Pt9 -2.011 -326 Cu4Pt20 -0.981 -327 Cu7Pt17 -1.655 -328 Cu19Pt5 -1.477 -329 Cu9Pt15 -1.947 -330 Cu15Pt9 -0.860 -331 Cu7Pt17 -1.642 -332 Cu17Pt7 -1.217 -333 Cu10Pt14 -1.853 -334 Cu16Pt8 -0.481 -335 Cu15Pt9 -1.897 -336 Cu9Pt15 -1.622 -337 Cu8Pt16 -1.793 -338 Cu20Pt4 -1.059 -339 Cu14Pt10 -1.551 -340 Cu15Pt9 -1.552 -341 Cu20Pt4 -1.290 -342 Cu6Pt18 -1.084 -343 Cu18Pt6 -1.705 -344 Cu12Pt12 -1.521 -345 Cu23Pt -0.359 -346 Cu10Pt14 -1.937 -347 Cu8Pt16 -1.701 -348 Cu17Pt7 -1.642 -349 Cu18Pt6 -1.567 -350 Cu5Pt19 -1.172 -351 Cu14Pt10 -1.924 -352 Cu18Pt6 -1.545 -353 Cu2Pt22 -0.709 -354 Cu6Pt18 -1.394 -355 Cu13Pt11 -1.764 -356 Cu13Pt11 -1.994 -357 Cu11Pt13 -2.079 -358 Cu8Pt16 -1.758 -359 Cu15Pt9 -1.185 -360 Cu10Pt14 -1.304 -361 Cu8Pt16 -1.476 -362 Cu7Pt17 -1.768 -363 CuPt23 -0.336 -364 Cu15Pt9 -2.091 -365 Cu11Pt13 -1.976 -366 Cu21Pt3 -0.766 -367 Cu19Pt5 -1.378 -368 Cu15Pt9 -1.275 -369 Cu23Pt -0.359 -370 Cu8Pt16 -1.781 -371 Cu16Pt8 -1.836 -372 Cu15Pt9 -1.475 -373 Cu16Pt8 -1.246 -374 Cu21Pt3 -0.910 -375 Cu15Pt9 -1.935 -376 CuPt23 -0.224 -377 Cu23Pt -0.309 -378 Cu11Pt13 -1.939 -379 Cu18Pt6 -1.384 -380 Cu9Pt15 -1.931 -381 Cu23Pt -0.359 -382 Cu13Pt11 -2.035 -383 Cu18Pt6 -1.583 -384 Cu3Pt21 -0.721 -385 CuPt23 -0.336 -386 Cu8Pt16 -1.360 -387 Cu5Pt19 -1.191 -388 Cu17Pt7 -1.227 -389 Cu12Pt12 -1.725 -390 Cu11Pt13 -2.079 -391 Cu22Pt2 -0.753 -392 Cu14Pt10 -1.707 -393 CuPt23 -0.336 -394 Cu8Pt16 -1.339 -395 Cu20Pt4 -0.863 -396 Cu3Pt21 -0.734 -397 Cu18Pt6 -1.613 -398 Cu19Pt5 -1.443 -399 Cu9Pt15 -1.842 -400 Cu20Pt4 -1.131 -401 Cu18Pt6 -1.537 -402 Cu20Pt4 -1.219 -403 Cu12Pt12 -1.675 -404 Cu17Pt7 -1.895 -405 Cu6Pt18 -1.324 -406 Cu17Pt7 -1.635 -407 Cu14Pt10 -1.947 -408 Cu9Pt15 -1.758 -409 Cu3Pt21 -0.822 -410 Cu12Pt12 -2.057 -411 Cu20Pt4 -0.900 -412 Cu20Pt4 -0.789 -413 Cu6Pt18 -1.256 -414 Cu6Pt18 -1.277 -415 Cu8Pt16 -1.735 -416 Cu18Pt6 -1.455 -417 Cu17Pt7 -1.571 -418 Cu13Pt11 -1.370 -419 Cu16Pt8 -1.441 -420 Cu11Pt13 -2.033 -421 Cu20Pt4 -0.856 -422 Cu14Pt10 -1.918 -423 Cu18Pt6 -0.971 -424 Cu18Pt6 -1.269 -425 Cu11Pt13 -1.971 -426 Cu17Pt7 -1.241 -427 Cu10Pt14 -1.595 -428 Cu13Pt11 -1.807 -429 Cu13Pt11 -1.976 -430 Cu15Pt9 -2.007 -431 Cu6Pt18 -1.532 -432 Cu9Pt15 -1.963 -433 Cu12Pt12 -1.403 -434 Cu17Pt7 -1.445 -435 Cu19Pt5 -1.308 -436 Cu21Pt3 -1.007 -437 Cu8Pt16 -1.676 -438 Cu21Pt3 -1.007 -439 Cu10Pt14 -1.174 -440 Cu4Pt20 -0.931 -441 Cu14Pt10 -1.742 -442 Cu15Pt9 -1.992 -443 Cu6Pt18 -1.256 -444 Cu4Pt20 -0.770 -445 Cu14Pt10 -2.042 -446 Cu17Pt7 -1.470 -447 Cu3Pt21 -0.889 -448 Cu10Pt14 -1.941 -449 Cu11Pt13 -2.028 -450 Cu22Pt2 -0.560 -451 Cu4Pt20 -1.148 -452 Cu18Pt6 -1.445 -453 Cu23Pt -0.309 -454 Cu23Pt -0.309 -455 Cu15Pt9 -1.987 -456 Cu20Pt4 -1.205 -457 Cu5Pt19 -1.296 -458 Cu6Pt18 -1.484 -459 Cu2Pt22 -0.545 -460 Cu17Pt7 -1.557 -461 CuPt23 -0.336 -462 Cu16Pt8 -1.881 -463 Cu9Pt15 -0.946 -464 Cu2Pt22 -0.444 -465 Cu2Pt22 -0.709 -466 Cu19Pt5 -1.070 -467 Cu10Pt14 -1.433 -468 Cu14Pt10 -1.907 -469 Cu21Pt3 -0.823 -470 Cu6Pt18 -1.404 -471 Cu4Pt20 -1.115 -472 Cu8Pt16 -1.792 -473 Cu8Pt16 -1.660 -474 Cu13Pt11 -2.031 -475 Cu14Pt10 -1.673 -476 Cu15Pt9 -1.367 -477 Cu7Pt17 -1.461 -478 Cu11Pt13 -2.057 -479 Cu6Pt18 -0.475 -480 Cu10Pt14 -1.900 -481 Cu16Pt8 -1.516 -482 Cu8Pt16 -1.656 -483 Cu12Pt12 -1.649 -484 Cu6Pt18 -1.038 -485 Cu10Pt14 -2.079 -486 Cu7Pt17 -1.553 -487 Cu16Pt8 -1.715 -488 Cu3Pt21 -0.781 -489 Cu8Pt16 -1.701 -490 Cu5Pt19 -1.049 -491 CuPt23 -0.224 -492 Cu21Pt3 -0.734 -493 Cu10Pt14 -0.861 -494 Cu9Pt15 -1.377 -495 Cu4Pt20 -1.222 -496 Cu14Pt10 -1.967 -497 Cu13Pt11 -1.939 -498 Cu20Pt4 -1.136 -499 Cu21Pt3 -0.993 -500 Cu15Pt9 -0.993 -501 Cu6Pt18 -1.576 -502 Cu5Pt19 -1.344 -503 Cu15Pt9 -1.819 -504 Cu11Pt13 -1.978 -505 Cu13Pt11 -2.042 -506 Cu18Pt6 -1.546 -507 Cu5Pt19 -1.067 -508 Cu14Pt10 -1.404 -509 Cu5Pt19 -0.881 -510 Cu3Pt21 -0.707 -511 Cu8Pt16 -1.594 -512 Cu7Pt17 -1.666 -513 Cu16Pt8 -1.758 -514 Cu20Pt4 -1.006 -515 Cu9Pt15 -1.651 -516 Cu5Pt19 -1.312 -517 Cu15Pt9 -1.899 -518 Cu12Pt12 -1.856 -519 Cu17Pt7 -1.877 -520 Cu20Pt4 -1.016 -521 Cu18Pt6 -1.596 -522 Cu15Pt9 -2.010 -Simplices: 10 +2 Cu8Pt16 -1.499 +3 Cu11Pt13 -1.690 +4 Cu22Pt2 -0.565 +5 Cu14Pt10 -1.430 +6 Cu17Pt7 -1.228 +7 Cu20Pt4 -1.150 +8 Cu16Pt8 -1.836 +9 Cu6Pt18 -1.095 +10 Cu17Pt7 -1.670 +11 Cu12Pt12 -1.791 +12 Cu15Pt9 -1.284 +13 Cu5Pt19 -1.005 +14 Cu20Pt4 -1.166 +15 Cu20Pt4 -1.091 +16 Cu15Pt9 -1.627 +17 Cu23Pt -0.309 +18 Cu11Pt13 -1.500 +19 Cu4Pt20 -0.944 +20 Cu16Pt8 -1.060 +21 Cu18Pt6 -1.612 +22 Cu12Pt12 -1.646 +23 Cu10Pt14 -1.238 +24 Cu18Pt6 -1.398 +25 Cu15Pt9 -1.491 +26 Cu13Pt11 -1.761 +27 Cu14Pt10 -1.985 +28 Cu11Pt13 -1.862 +29 Cu17Pt7 -1.740 +30 Cu4Pt20 -0.912 +31 Cu3Pt21 -0.605 +32 Cu13Pt11 -1.928 +33 Cu19Pt5 -1.404 +34 Cu10Pt14 -1.377 +35 Cu8Pt16 -1.550 +36 Cu14Pt10 -1.763 +37 Cu15Pt9 -1.877 +38 Cu21Pt3 -0.774 +39 CuPt23 -0.224 +40 Cu3Pt21 -0.812 +41 Cu15Pt9 -1.400 +42 Cu21Pt3 -0.724 +43 Cu22Pt2 -0.657 +44 Cu22Pt2 -0.599 +45 Cu15Pt9 -1.697 +46 Cu14Pt10 -1.585 +47 Cu17Pt7 -1.468 +48 Cu15Pt9 -1.872 +49 Cu8Pt16 -1.472 +50 Cu7Pt17 -1.547 +51 Cu11Pt13 -0.871 +52 Cu11Pt13 -1.865 +53 Cu11Pt13 -1.609 +54 Cu14Pt10 -1.381 +55 Cu6Pt18 -1.319 +56 Cu18Pt6 -1.141 +57 Cu20Pt4 -1.094 +58 Cu18Pt6 -1.373 +59 Cu17Pt7 -1.671 +60 Cu21Pt3 -0.834 +61 Cu4Pt20 -0.855 +62 Cu17Pt7 -1.633 +63 Cu18Pt6 -1.342 +64 Cu11Pt13 -1.354 +65 Cu5Pt19 -0.914 +66 Cu19Pt5 -1.287 +67 Cu7Pt17 -1.392 +68 Cu10Pt14 -1.630 +69 Cu10Pt14 -0.916 +70 Cu11Pt13 -1.188 +71 Cu22Pt2 -0.409 +72 Cu13Pt11 -1.878 +73 Cu12Pt12 -1.820 +74 Cu8Pt16 -1.756 +75 Cu23Pt -0.309 +76 Cu5Pt19 -1.135 +77 Cu15Pt9 -1.743 +78 Cu17Pt7 -1.611 +79 Cu13Pt11 -1.486 +80 Cu3Pt21 -0.742 +81 Cu19Pt5 -1.308 +82 Cu11Pt13 -1.225 +83 Cu19Pt5 -1.470 +84 Cu16Pt8 -1.333 +85 Cu17Pt7 -1.623 +86 Cu20Pt4 -1.106 +87 Cu15Pt9 -1.547 +88 Cu19Pt5 -1.268 +89 Cu18Pt6 -1.100 +90 Cu8Pt16 -1.213 +91 Cu11Pt13 -1.861 +92 Cu16Pt8 -1.429 +93 Cu18Pt6 -1.476 +94 Cu22Pt2 -0.409 +95 Cu14Pt10 -1.795 +96 Cu5Pt19 -0.889 +97 Cu15Pt9 -1.178 +98 Cu16Pt8 -1.982 +99 Cu13Pt11 -1.701 +100 Cu14Pt10 -1.300 +101 Cu5Pt19 -1.005 +102 Cu13Pt11 -1.690 +103 Cu7Pt17 -1.464 +104 Cu18Pt6 -1.078 +105 Cu15Pt9 -1.909 +106 Cu7Pt17 -1.064 +107 Cu12Pt12 -1.697 +108 Cu4Pt20 -0.944 +109 Cu14Pt10 -1.986 +110 Cu8Pt16 -1.560 +111 Cu11Pt13 -1.492 +112 Cu4Pt20 -1.026 +113 CuPt23 -0.336 +114 Cu11Pt13 -2.141 +115 Cu15Pt9 -1.790 +116 Cu8Pt16 -1.033 +117 Cu14Pt10 -1.827 +118 Cu14Pt10 -1.725 +119 Cu19Pt5 -1.249 +120 Cu10Pt14 -1.245 +121 Cu11Pt13 -1.390 +122 Cu9Pt15 -1.506 +123 Cu23Pt -0.309 +124 Cu20Pt4 -1.032 +125 Cu15Pt9 -1.626 +126 Cu16Pt8 -1.671 +127 Cu17Pt7 -1.662 +128 Cu4Pt20 -1.054 +129 Cu21Pt3 -0.903 +130 Cu13Pt11 -1.498 +131 Cu16Pt8 -1.337 +132 Cu6Pt18 -1.234 +133 Cu2Pt22 -0.381 +134 Cu15Pt9 -0.913 +135 Cu4Pt20 -1.068 +136 Cu5Pt19 -1.194 +137 Cu15Pt9 -1.714 +138 Cu14Pt10 -1.974 +139 Cu15Pt9 -1.363 +140 Cu12Pt12 -1.582 +141 Cu17Pt7 -1.472 +142 Cu12Pt12 -1.401 +143 Cu8Pt16 -1.161 +144 Cu4Pt20 -1.063 +145 Cu2Pt22 -0.449 +146 Cu15Pt9 -1.611 +147 Cu7Pt17 -1.538 +148 Cu4Pt20 -1.124 +149 Cu11Pt13 -1.899 +150 Cu20Pt4 -1.166 +151 Cu11Pt13 -1.604 +152 Cu7Pt17 -1.568 +153 Cu10Pt14 -1.516 +154 Cu12Pt12 -1.512 +155 Cu12Pt12 -1.863 +156 Cu15Pt9 -2.006 +157 Cu21Pt3 -0.890 +158 Cu15Pt9 -1.941 +159 Cu6Pt18 -1.427 +160 Cu15Pt9 -1.389 +161 Cu10Pt14 -1.235 +162 Cu7Pt17 -1.121 +163 Cu9Pt15 -1.180 +164 Cu2Pt22 -0.509 +165 Cu19Pt5 -1.305 +166 Cu19Pt5 -1.269 +167 Cu18Pt6 -1.522 +168 Cu10Pt14 -1.560 +169 Cu19Pt5 -1.317 +170 Cu13Pt11 -1.289 +171 Cu15Pt9 -1.973 +172 CuPt23 -0.336 +173 Cu5Pt19 -1.314 +174 Cu14Pt10 -1.812 +175 Cu9Pt15 -1.732 +176 Cu11Pt13 -1.943 +177 Cu16Pt8 -1.019 +178 Cu3Pt21 -0.693 +179 Cu17Pt7 -1.740 +180 Cu18Pt6 -1.364 +181 Cu7Pt17 -1.257 +182 Cu10Pt14 -2.074 +183 Cu17Pt7 -1.588 +184 Cu15Pt9 -2.092 +185 Cu19Pt5 -0.776 +186 Cu16Pt8 -1.742 +187 Cu17Pt7 -0.975 +188 Cu11Pt13 -1.269 +189 Cu11Pt13 -2.040 +190 Cu20Pt4 -1.166 +191 Cu22Pt2 -0.629 +192 Cu8Pt16 -1.649 +193 Cu16Pt8 -1.626 +194 Cu16Pt8 -1.793 +195 Cu16Pt8 -1.351 +196 Cu12Pt12 -1.538 +197 Cu17Pt7 -1.575 +198 Cu12Pt12 -1.951 +199 Cu14Pt10 -1.808 +200 Cu4Pt20 -1.079 +201 Cu3Pt21 -0.812 +202 Cu10Pt14 -2.068 +203 Cu17Pt7 -1.181 +204 Cu9Pt15 -1.688 +205 Cu23Pt -0.309 +206 Cu9Pt15 -1.592 +207 Cu22Pt2 -0.756 +208 Cu4Pt20 -1.079 +209 Cu21Pt3 -0.668 +210 Cu9Pt15 -1.773 +211 Cu11Pt13 -2.073 +212 Cu17Pt7 -1.454 +213 Cu7Pt17 -1.189 +214 Cu20Pt4 -1.164 +215 Cu10Pt14 -2.013 +216 Cu11Pt13 -0.956 +217 Cu13Pt11 -1.585 +218 Cu8Pt16 -1.504 +219 Cu13Pt11 -1.819 +220 Cu19Pt5 -0.919 +221 Cu17Pt7 -1.617 +222 Cu5Pt19 -1.128 +223 Cu10Pt14 -1.735 +224 Cu22Pt2 -0.657 +225 Cu14Pt10 -1.698 +226 Cu18Pt6 -1.298 +227 CuPt23 -0.336 +228 Cu12Pt12 -1.842 +229 Cu8Pt16 -1.845 +230 Cu13Pt11 -1.685 +231 Cu11Pt13 -2.096 +232 Cu14Pt10 -1.305 +233 Cu5Pt19 -1.322 +234 Cu3Pt21 -0.794 +235 Cu13Pt11 -1.670 +236 Cu23Pt -0.359 +237 Cu13Pt11 -1.568 +238 Cu18Pt6 -1.649 +239 Cu16Pt8 -1.309 +240 Cu11Pt13 -1.939 +241 Cu17Pt7 -1.496 +242 Cu6Pt18 -1.354 +243 Cu14Pt10 -1.986 +244 Cu10Pt14 -0.298 +245 Cu22Pt2 -0.560 +246 Cu14Pt10 -0.629 +247 Cu23Pt -0.309 +248 Cu16Pt8 -1.423 +249 Cu17Pt7 -1.633 +250 Cu13Pt11 -1.911 +251 Cu9Pt15 -1.776 +252 Cu20Pt4 -1.242 +253 Cu9Pt15 -1.856 +254 Cu17Pt7 -1.584 +255 Cu14Pt10 -2.078 +256 Cu21Pt3 -0.893 +257 Cu23Pt -0.309 +258 Cu17Pt7 -1.452 +259 Cu13Pt11 -2.154 +260 CuPt23 -0.336 +261 Cu18Pt6 -1.384 +262 Cu3Pt21 -0.770 +263 Cu2Pt22 -0.381 +264 Cu14Pt10 -1.698 +265 Cu5Pt19 -1.172 +266 Cu11Pt13 -1.662 +267 Cu10Pt14 -1.724 +268 CuPt23 -0.336 +269 Cu19Pt5 -1.390 +270 Cu9Pt15 -1.751 +271 Cu7Pt17 -1.530 +272 Cu6Pt18 -1.293 +273 Cu12Pt12 -1.306 +274 Cu16Pt8 -1.853 +275 CuPt23 -0.224 +276 Cu4Pt20 -1.140 +277 Cu8Pt16 -1.706 +278 Cu22Pt2 -0.756 +279 Cu20Pt4 -1.166 +280 Cu11Pt13 -2.011 +281 Cu5Pt19 -1.316 +282 Cu13Pt11 -2.066 +283 Cu13Pt11 -1.844 +284 Cu8Pt16 -1.885 +285 Cu5Pt19 -1.247 +286 Cu6Pt18 -1.353 +287 Cu13Pt11 -2.095 +288 Cu3Pt21 -0.607 +289 Cu13Pt11 -1.934 +290 Cu12Pt12 -1.430 +291 Cu15Pt9 -1.857 +292 Cu5Pt19 -1.036 +293 Cu15Pt9 -1.998 +294 Cu16Pt8 -0.847 +295 Cu15Pt9 -1.879 +296 Cu19Pt5 -1.352 +297 Cu9Pt15 -1.461 +298 Cu15Pt9 -1.383 +299 Cu16Pt8 -1.371 +300 Cu20Pt4 -1.104 +301 Cu4Pt20 -0.849 +302 Cu11Pt13 -0.600 +303 Cu9Pt15 -1.936 +304 Cu22Pt2 -0.624 +305 Cu11Pt13 -1.865 +306 Cu10Pt14 -1.449 +307 Cu11Pt13 -2.003 +308 Cu11Pt13 -1.923 +309 Cu5Pt19 -1.142 +310 Cu19Pt5 -1.351 +311 Cu20Pt4 -0.953 +312 Cu22Pt2 -0.627 +313 Cu22Pt2 -0.599 +314 Cu12Pt12 -1.534 +315 Cu13Pt11 -1.842 +316 Cu14Pt10 -1.731 +317 Cu16Pt8 -1.694 +318 Cu12Pt12 -1.241 +319 Cu17Pt7 -1.511 +320 Cu21Pt3 -0.823 +321 Cu12Pt12 -2.024 +322 Cu17Pt7 -1.738 +323 Cu4Pt20 -1.189 +324 Cu15Pt9 -1.702 +325 Cu14Pt10 -1.290 +326 Cu9Pt15 -1.304 +327 Cu8Pt16 -1.587 +328 Cu9Pt15 -1.607 +329 Cu13Pt11 -2.154 +330 Cu20Pt4 -1.225 +331 Cu21Pt3 -1.056 +332 CuPt23 -0.224 +333 Cu16Pt8 -1.015 +334 Cu18Pt6 -0.582 +335 Cu9Pt15 -1.875 +336 Cu12Pt12 -1.850 +337 Cu7Pt17 -1.303 +338 Cu15Pt9 -1.219 +339 Cu11Pt13 -1.273 +340 Cu10Pt14 -2.007 +341 Cu13Pt11 -2.040 +342 Cu15Pt9 -1.583 +343 Cu5Pt19 -1.238 +344 Cu16Pt8 -1.845 +345 Cu9Pt15 -1.265 +346 Cu15Pt9 -1.748 +347 Cu15Pt9 -1.974 +348 Cu19Pt5 -0.772 +349 Cu9Pt15 -0.970 +350 Cu10Pt14 -1.709 +351 Cu8Pt16 -1.737 +352 Cu3Pt21 -0.896 +353 Cu6Pt18 -1.413 +354 Cu17Pt7 -1.752 +355 Cu13Pt11 -1.524 +356 Cu15Pt9 -1.966 +357 Cu15Pt9 -1.711 +358 Cu2Pt22 -0.545 +359 Cu19Pt5 -1.327 +360 Cu15Pt9 -1.710 +361 Cu15Pt9 -1.974 +362 Cu8Pt16 -0.896 +363 Cu12Pt12 -1.951 +364 CuPt23 -0.336 +365 Cu22Pt2 -0.624 +366 Cu22Pt2 -0.657 +367 Cu18Pt6 -1.496 +368 Cu2Pt22 -0.570 +369 Cu12Pt12 -1.733 +370 Cu9Pt15 -1.746 +371 Cu7Pt17 -1.735 +372 Cu14Pt10 -1.759 +373 Cu17Pt7 -1.372 +374 Cu5Pt19 -1.246 +375 Cu13Pt11 -1.720 +376 Cu16Pt8 -1.378 +377 Cu12Pt12 -1.056 +378 Cu15Pt9 -1.319 +379 Cu12Pt12 -2.258 +380 Cu19Pt5 -1.286 +381 Cu9Pt15 -1.671 +382 Cu18Pt6 -1.705 +383 Cu5Pt19 -1.244 +384 Cu21Pt3 -0.935 +385 Cu17Pt7 -1.690 +386 Cu10Pt14 -1.536 +387 Cu5Pt19 -0.996 +388 Cu15Pt9 -1.957 +389 Cu9Pt15 -1.766 +390 Cu10Pt14 -1.858 +391 Cu20Pt4 -1.222 +392 Cu4Pt20 -1.081 +393 Cu20Pt4 -1.106 +394 Cu13Pt11 -1.868 +395 Cu11Pt13 -1.780 +396 Cu3Pt21 -0.747 +397 Cu9Pt15 -1.914 +398 Cu14Pt10 -1.996 +399 Cu5Pt19 -1.154 +400 Cu17Pt7 -1.791 +401 Cu7Pt17 -1.542 +402 Cu18Pt6 -1.295 +403 Cu13Pt11 -1.948 +404 Cu2Pt22 -0.623 +405 Cu5Pt19 -1.201 +406 Cu11Pt13 -1.936 +407 Cu8Pt16 -0.812 +408 Cu15Pt9 -0.824 +409 Cu22Pt2 -0.599 +410 Cu18Pt6 -1.307 +411 Cu21Pt3 -0.724 +412 CuPt23 -0.224 +413 Cu9Pt15 -1.637 +414 Cu16Pt8 -1.807 +415 Cu8Pt16 -1.544 +416 Cu11Pt13 -1.798 +417 Cu20Pt4 -1.109 +418 Cu15Pt9 -2.139 +419 Cu15Pt9 -2.017 +420 Cu8Pt16 -0.478 +421 Cu18Pt6 -1.649 +422 Cu6Pt18 -0.811 +423 Cu6Pt18 -1.432 +424 Cu13Pt11 -1.756 +425 Cu5Pt19 -1.322 +426 Cu14Pt10 -2.008 +427 Cu9Pt15 -1.827 +428 Cu7Pt17 -1.489 +429 Cu13Pt11 -1.723 +430 Cu11Pt13 -2.007 +431 Cu9Pt15 -1.773 +432 Cu6Pt18 -1.349 +433 Cu7Pt17 -1.460 +434 Cu8Pt16 -1.569 +435 Cu17Pt7 -0.946 +436 Cu15Pt9 -1.998 +437 Cu22Pt2 -0.626 +438 Cu5Pt19 -1.390 +439 Cu17Pt7 -1.026 +440 Cu11Pt13 -1.772 +441 Cu14Pt10 -1.739 +442 Cu10Pt14 -1.536 +443 Cu14Pt10 -2.067 +444 Cu4Pt20 -0.852 +445 Cu19Pt5 -1.545 +446 Cu7Pt17 -1.530 +447 Cu12Pt12 -1.511 +448 Cu12Pt12 -1.660 +449 Cu5Pt19 -1.300 +450 Cu14Pt10 -1.905 +451 Cu8Pt16 -1.476 +452 Cu23Pt -0.309 +453 Cu15Pt9 -1.819 +454 Cu6Pt18 -1.394 +455 Cu13Pt11 -2.109 +456 Cu9Pt15 -1.762 +457 Cu7Pt17 -1.707 +458 Cu18Pt6 -1.500 +459 Cu6Pt18 -1.052 +460 Cu7Pt17 -1.545 +461 Cu8Pt16 -1.326 +462 Cu7Pt17 -1.663 +463 Cu7Pt17 -1.459 +464 Cu5Pt19 -1.372 +465 Cu10Pt14 -2.074 +466 Cu21Pt3 -0.923 +467 Cu9Pt15 -1.067 +468 Cu9Pt15 -1.952 +469 Cu16Pt8 -0.974 +470 Cu3Pt21 -0.946 +471 Cu7Pt17 -1.351 +472 Cu22Pt2 -0.689 +473 Cu9Pt15 -1.537 +474 Cu16Pt8 -1.089 +475 Cu12Pt12 -1.887 +476 Cu11Pt13 -1.535 +477 Cu22Pt2 -0.626 +478 Cu8Pt16 -1.690 +479 Cu19Pt5 -1.350 +480 Cu18Pt6 -1.607 +481 Cu17Pt7 -1.515 +482 Cu7Pt17 -1.680 +483 Cu3Pt21 -0.774 +484 Cu13Pt11 -0.653 +485 Cu22Pt2 -0.683 +486 Cu2Pt22 -0.623 +487 Cu17Pt7 -1.742 +488 Cu6Pt18 -0.773 +489 Cu9Pt15 -1.881 +490 Cu13Pt11 -1.974 +491 Cu10Pt14 -1.961 +492 Cu15Pt9 -0.824 +493 Cu22Pt2 -0.756 +494 Cu8Pt16 -1.831 +495 Cu8Pt16 -1.033 +496 Cu16Pt8 -1.990 +497 Cu11Pt13 -2.110 +498 Cu22Pt2 -0.689 +499 Cu3Pt21 -0.729 +500 Cu14Pt10 -1.835 +501 Cu18Pt6 -1.611 +502 Cu5Pt19 -1.070 +503 Cu22Pt2 -0.599 +504 Cu15Pt9 -1.844 +505 Cu21Pt3 -0.933 +506 Cu14Pt10 -1.704 +507 Cu17Pt7 -1.566 +508 Cu15Pt9 -2.045 +509 Cu4Pt20 -0.929 +510 Cu13Pt11 -2.175 +511 Cu14Pt10 -1.835 +512 Cu18Pt6 -1.705 +513 Cu11Pt13 -2.096 +514 Cu2Pt22 -0.381 +515 Cu16Pt8 -0.720 +516 Cu4Pt20 -1.070 +517 Cu7Pt17 -1.245 +518 Cu17Pt7 -1.645 +519 Cu9Pt15 -2.035 +520 Cu5Pt19 -0.811 +521 Cu23Pt -0.359 +522 Cu21Pt3 -0.935 +523 Cu16Pt8 -1.775 +Simplices: 14 ./doc/tutorials/ga hull.png running: ./doc/tutorials/minimahopping/minimahopping.py ./doc/tutorials/minimahopping summary.png running: ./doc/tutorials/neb/diffusion.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:58:20 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 08:58:20 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 04:44:39 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 04:44:39 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 08:58:20 3.320051 0.1208 -BFGSLineSearch: 1[ 1] 08:58:20 3.316117 0.0474 +BFGSLineSearch: 0[ 0] 04:44:39 3.320051 0.1208 +BFGSLineSearch: 1[ 1] 04:44:39 3.316117 0.0474 Step Time Energy fmax -BFGS: 0 08:58:20 4.219952 3.520752 -BFGS: 1 08:58:20 3.937039 2.176459 -BFGS: 2 08:58:20 3.719814 0.435144 -BFGS: 3 08:58:20 3.709652 0.230130 -BFGS: 4 08:58:20 3.708879 0.244129 -BFGS: 5 08:58:20 3.706088 0.257744 -BFGS: 6 08:58:20 3.698532 0.213396 -BFGS: 7 08:58:20 3.692121 0.246181 -BFGS: 8 08:58:20 3.692274 0.187321 -BFGS: 9 08:58:20 3.693484 0.172736 -BFGS: 10 08:58:20 3.692659 0.151427 -BFGS: 11 08:58:20 3.690809 0.073608 -BFGS: 12 08:58:20 3.690202 0.070785 -BFGS: 13 08:58:20 3.690382 0.078195 -BFGS: 14 08:58:20 3.690426 0.103450 -BFGS: 15 08:58:20 3.689890 0.099762 -BFGS: 16 08:58:20 3.689029 0.054308 -BFGS: 17 08:58:20 3.688737 0.028916 +BFGS: 0 04:44:39 4.219952 3.520752 +BFGS: 1 04:44:39 3.937039 2.176459 +BFGS: 2 04:44:39 3.719814 0.435144 +BFGS: 3 04:44:39 3.709652 0.230130 +BFGS: 4 04:44:39 3.708879 0.244129 +BFGS: 5 04:44:39 3.706088 0.257744 +BFGS: 6 04:44:39 3.698532 0.213396 +BFGS: 7 04:44:39 3.692121 0.246181 +BFGS: 8 04:44:39 3.692274 0.187321 +BFGS: 9 04:44:40 3.693484 0.172736 +BFGS: 10 04:44:40 3.692659 0.151427 +BFGS: 11 04:44:40 3.690809 0.073608 +BFGS: 12 04:44:40 3.690202 0.070785 +BFGS: 13 04:44:40 3.690382 0.078195 +BFGS: 14 04:44:40 3.690426 0.103450 +BFGS: 15 04:44:40 3.689890 0.099762 +BFGS: 16 04:44:40 3.689029 0.054308 +BFGS: 17 04:44:40 3.688737 0.028916 Step Time Energy fmax -BFGS: 0 08:58:20 3.688737 0.028916 -BFGS: 1 08:58:20 3.688734 0.026509 -BFGS: 2 08:58:20 3.688730 0.023976 -BFGS: 3 08:58:20 3.688729 0.023898 -BFGS: 4 08:58:20 3.688718 0.012188 -BFGS: 5 08:58:20 3.688718 0.008625 -BFGS: 6 08:58:20 3.688718 0.009485 -BFGS: 7 08:58:20 3.688718 0.009737 -BFGS: 8 08:58:20 3.688716 0.009698 -BFGS: 9 08:58:20 3.688714 0.008666 -BFGS: 10 08:58:20 3.688714 0.006195 -BFGS: 11 08:58:21 3.688714 0.005328 -BFGS: 12 08:58:21 3.688714 0.005264 -BFGS: 13 08:58:21 3.688714 0.006633 -BFGS: 14 08:58:21 3.688715 0.008844 -BFGS: 15 08:58:21 3.688723 0.010877 -BFGS: 16 08:58:21 3.688733 0.015712 -BFGS: 17 08:58:21 3.688732 0.015288 -BFGS: 18 08:58:21 3.688722 0.010019 -BFGS: 19 08:58:21 3.688716 0.005032 -BFGS: 20 08:58:21 3.688716 0.003424 +BFGS: 0 04:44:40 3.688737 0.028916 +BFGS: 1 04:44:40 3.688734 0.026509 +BFGS: 2 04:44:40 3.688730 0.023976 +BFGS: 3 04:44:40 3.688729 0.023898 +BFGS: 4 04:44:40 3.688718 0.012188 +BFGS: 5 04:44:40 3.688718 0.008625 +BFGS: 6 04:44:40 3.688718 0.009485 +BFGS: 7 04:44:40 3.688718 0.009737 +BFGS: 8 04:44:40 3.688716 0.009698 +BFGS: 9 04:44:40 3.688714 0.008666 +BFGS: 10 04:44:40 3.688714 0.006195 +BFGS: 11 04:44:40 3.688714 0.005328 +BFGS: 12 04:44:40 3.688714 0.005264 +BFGS: 13 04:44:40 3.688714 0.006633 +BFGS: 14 04:44:40 3.688715 0.008844 +BFGS: 15 04:44:40 3.688723 0.010877 +BFGS: 16 04:44:40 3.688733 0.015712 +BFGS: 17 04:44:40 3.688732 0.015288 +BFGS: 18 04:44:40 3.688722 0.010019 +BFGS: 19 04:44:40 3.688716 0.005032 +BFGS: 20 04:44:40 3.688716 0.003424 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -8665,11 +8702,11 @@ making output directory... done Converting `source_suffix = '.rst'` to `source_suffix = {'.rst': 'restructuredtext'}`. loading intersphinx inventory 'gpaw' from https://wiki.fysik.dtu.dk/gpaw/objects.inv... -WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://wiki.fysik.dtu.dk/gpaw/objects.inv' not fetchable due to : HTTPSConnectionPool(host='wiki.fysik.dtu.dk', port=443): Max retries exceeded with url: /gpaw/objects.inv (Caused by NameResolutionError(": Failed to resolve 'wiki.fysik.dtu.dk' ([Errno -3] Temporary failure in name resolution)")) loading intersphinx inventory 'python' from https://docs.python.org/3.10/objects.inv... WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://docs.python.org/3.10/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.10/objects.inv (Caused by NameResolutionError(": Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)")) +intersphinx inventory 'https://wiki.fysik.dtu.dk/gpaw/objects.inv' not fetchable due to : HTTPSConnectionPool(host='wiki.fysik.dtu.dk', port=443): Max retries exceeded with url: /gpaw/objects.inv (Caused by NameResolutionError(": Failed to resolve 'wiki.fysik.dtu.dk' ([Errno -3] Temporary failure in name resolution)")) +WARNING: failed to reach any of the inventories with the following issues: +intersphinx inventory 'https://docs.python.org/3.10/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.10/objects.inv (Caused by NameResolutionError(": Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)")) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 173 source files that are out of date @@ -9524,16 +9561,16 @@ dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/da/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/sv/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/de/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fi/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/ru/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/de/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/sv/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -9541,9 +9578,9 @@ dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild -dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.23.0-1_all.deb'. dpkg-deb: building package 'ase' in '../ase_3.23.0-1_all.deb'. dpkg-deb: building package 'python3-ase' in '../python3-ase_3.23.0-1_all.deb'. +dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.23.0-1_all.deb'. dpkg-genbuildinfo --build=binary -O../python-ase_3.23.0-1_arm64.buildinfo dpkg-genchanges --build=binary -O../python-ase_3.23.0-1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -9551,12 +9588,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3166704/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/627003 and its subdirectories -I: Current time: Wed Dec 24 08:59:56 -12 2025 -I: pbuilder-time-stamp: 1766609996 +I: removing directory /srv/workspace/pbuilder/3166704 and its subdirectories +I: Current time: Fri Nov 22 04:45:55 +14 2024 +I: pbuilder-time-stamp: 1732200355