Diff of the two buildlogs: -- --- b1/build.log 2024-08-30 03:26:09.108479691 +0000 +++ b2/build.log 2024-08-30 03:45:40.198742996 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Aug 29 15:09:33 -12 2024 -I: pbuilder-time-stamp: 1724987373 +I: Current time: Thu Oct 2 23:49:12 +14 2025 +I: pbuilder-time-stamp: 1759398552 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-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/3643596/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2387482/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-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 Oct 2 09:49 /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/2387482/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2387482/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='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='692456ac0f4e4a1e9dc71f76707d1fba' - 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='3643596' - PS1='# ' - PS2='> ' + INVOCATION_ID=ed9463adf83f46e6a19a11b6236e7ace + 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=2387482 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.9EqEVLxq/pbuilderrc_6pFj --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.9EqEVLxq/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.9EqEVLxq/pbuilderrc_BLqD --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.9EqEVLxq/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 codethink02-arm64 6.1.0-23-cloud-arm64 #1 SMP Debian 6.1.99-1 (2024-07-15) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-23-cloud-arm64 #1 SMP Debian 6.1.99-1 (2024-07-15) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3643596/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2387482/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -420,7 +452,7 @@ Get: 272 http://deb.debian.org/debian unstable/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 273 http://deb.debian.org/debian unstable/main arm64 texlive-base all 2024.20240706-1 [22.7 MB] Get: 274 http://deb.debian.org/debian unstable/main arm64 texlive-latex-base all 2024.20240706-1 [1274 kB] -Fetched 192 MB in 2s (120 MB/s) +Fetched 192 MB in 2s (94.4 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 ... 19882 files and directories currently installed.) @@ -1308,8 +1340,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Fri Aug 30 03:10:46 UTC 2024. -Universal Time is now: Fri Aug 30 03:10:46 UTC 2024. +Local time is now: Thu Oct 2 09:50:48 UTC 2025. +Universal Time is now: Thu Oct 2 09:50:48 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1576,7 +1608,11 @@ 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/2387482/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/2387482/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 @@ -3023,40 +3059,40 @@ 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. @@ -3715,7 +3751,7 @@ 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, 16 warnings in 330.03s (0:05:30) = += 2734 passed, 554 skipped, 1 deselected, 5 xfailed, 16 warnings in 387.93s (0:06:27) = make[1]: Leaving directory '/build/reproducible-path/python-ase-3.23.0' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -7515,7 +7551,7 @@ PATH=/build/reproducible-path/python-ase-3.23.0/bin:${PATH} PYTHONPATH=/build/reproducible-path/python-ase-3.23.0/doc:/build/reproducible-path/python-ase-3.23.0 python3 -m sphinx -b html doc debian/python-ase-doc/usr/share/doc/python-ase-doc/html Running Sphinx v7.4.7 loading translations [en]... done -Matplotlib created a temporary cache directory at /tmp/matplotlib-e5pcnw4e 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-o3g8u08a 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 @@ -7525,63 +7561,63 @@ running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png running: ./doc/ase/precon.py -PreconLBFGS: 0 15:18:19 11.881544 5.0770 -PreconLBFGS: 1 15:18:19 9.721479 3.9439 -PreconLBFGS: 2 15:18:19 8.763736 4.8036 -PreconLBFGS: 3 15:18:19 7.844821 3.7443 -PreconLBFGS: 4 15:18:19 6.983034 4.0077 -PreconLBFGS: 5 15:18:19 6.241838 3.4906 -PreconLBFGS: 6 15:18:19 5.431719 3.4055 -PreconLBFGS: 7 15:18:19 4.618000 3.0392 -PreconLBFGS: 8 15:18:19 3.870055 2.6555 -PreconLBFGS: 9 15:18:19 3.227248 2.3331 -PreconLBFGS: 10 15:18:19 2.530719 2.0596 -PreconLBFGS: 11 15:18:19 2.033757 1.7769 -PreconLBFGS: 12 15:18:19 1.512731 1.4761 -PreconLBFGS: 13 15:18:19 1.149587 1.1205 -PreconLBFGS: 14 15:18:19 0.914239 0.8209 -PreconLBFGS: 15 15:18:19 0.788020 0.5450 -PreconLBFGS: 16 15:18:19 0.714341 0.3851 -PreconLBFGS: 17 15:18:20 0.674602 0.2785 -PreconLBFGS: 18 15:18:20 0.652484 0.2171 -PreconLBFGS: 19 15:18:20 0.643906 0.1797 -PreconLBFGS: 20 15:18:20 0.640309 0.1501 -PreconLBFGS: 21 15:18:20 0.638003 0.1324 -PreconLBFGS: 22 15:18:20 0.636776 0.1094 -PreconLBFGS: 23 15:18:20 0.635986 0.0850 -PreconLBFGS: 24 15:18:20 0.635433 0.0522 -PreconLBFGS: 25 15:18:20 0.634973 0.0305 -PreconLBFGS: 26 15:18:20 0.634716 0.0193 -PreconLBFGS: 27 15:18:20 0.634592 0.0132 -PreconLBFGS: 28 15:18:20 0.634522 0.0112 -PreconLBFGS: 29 15:18:20 0.634486 0.0089 -PreconLBFGS: 30 15:18:20 0.634470 0.0083 -PreconLBFGS: 31 15:18:21 0.634462 0.0072 -PreconLBFGS: 32 15:18:21 0.634456 0.0050 -PreconLBFGS: 33 15:18:21 0.634452 0.0030 -PreconLBFGS: 34 15:18:21 0.634449 0.0017 -PreconLBFGS: 35 15:18:21 0.634448 0.0013 -PreconLBFGS: 36 15:18:21 0.634447 0.0009 -PreconLBFGS: 0 15:18:21 11.881544 5.0770 -PreconLBFGS: 1 15:18:21 9.794004 4.0022 -PreconLBFGS: 2 15:18:21 7.255200 3.4746 -PreconLBFGS: 3 15:18:21 5.540273 2.7637 -PreconLBFGS: 4 15:18:21 4.030393 2.2824 -PreconLBFGS: 5 15:18:21 2.861759 1.7993 -PreconLBFGS: 6 15:18:21 1.960588 1.3805 -PreconLBFGS: 7 15:18:21 1.319087 0.9972 -PreconLBFGS: 8 15:18:21 0.913600 0.6490 -PreconLBFGS: 9 15:18:22 0.661975 0.1417 -PreconLBFGS: 10 15:18:22 0.649358 0.0762 -PreconLBFGS: 11 15:18:22 0.637452 0.0305 -PreconLBFGS: 12 15:18:22 0.636014 0.0233 -PreconLBFGS: 13 15:18:22 0.635005 0.0150 -PreconLBFGS: 14 15:18:22 0.634698 0.0076 -PreconLBFGS: 15 15:18:22 0.634546 0.0033 -PreconLBFGS: 16 15:18:22 0.634482 0.0026 -PreconLBFGS: 17 15:18:22 0.634461 0.0020 -PreconLBFGS: 18 15:18:22 0.634453 0.0012 -PreconLBFGS: 19 15:18:22 0.634449 0.0009 +PreconLBFGS: 0 00:01:36 11.881544 5.0770 +PreconLBFGS: 1 00:01:36 9.721479 3.9439 +PreconLBFGS: 2 00:01:36 8.763736 4.8036 +PreconLBFGS: 3 00:01:36 7.844821 3.7443 +PreconLBFGS: 4 00:01:36 6.983034 4.0077 +PreconLBFGS: 5 00:01:36 6.241838 3.4906 +PreconLBFGS: 6 00:01:36 5.431719 3.4055 +PreconLBFGS: 7 00:01:36 4.618000 3.0392 +PreconLBFGS: 8 00:01:36 3.870055 2.6555 +PreconLBFGS: 9 00:01:36 3.227248 2.3331 +PreconLBFGS: 10 00:01:36 2.530719 2.0596 +PreconLBFGS: 11 00:01:36 2.033757 1.7769 +PreconLBFGS: 12 00:01:36 1.512731 1.4761 +PreconLBFGS: 13 00:01:36 1.149587 1.1205 +PreconLBFGS: 14 00:01:36 0.914239 0.8209 +PreconLBFGS: 15 00:01:37 0.788020 0.5450 +PreconLBFGS: 16 00:01:37 0.714341 0.3851 +PreconLBFGS: 17 00:01:37 0.674602 0.2785 +PreconLBFGS: 18 00:01:37 0.652484 0.2171 +PreconLBFGS: 19 00:01:37 0.643906 0.1797 +PreconLBFGS: 20 00:01:37 0.640309 0.1501 +PreconLBFGS: 21 00:01:37 0.638003 0.1324 +PreconLBFGS: 22 00:01:37 0.636776 0.1094 +PreconLBFGS: 23 00:01:37 0.635986 0.0850 +PreconLBFGS: 24 00:01:37 0.635433 0.0522 +PreconLBFGS: 25 00:01:37 0.634973 0.0305 +PreconLBFGS: 26 00:01:37 0.634716 0.0193 +PreconLBFGS: 27 00:01:37 0.634592 0.0132 +PreconLBFGS: 28 00:01:37 0.634522 0.0112 +PreconLBFGS: 29 00:01:38 0.634486 0.0089 +PreconLBFGS: 30 00:01:38 0.634470 0.0083 +PreconLBFGS: 31 00:01:38 0.634462 0.0072 +PreconLBFGS: 32 00:01:38 0.634456 0.0050 +PreconLBFGS: 33 00:01:38 0.634452 0.0030 +PreconLBFGS: 34 00:01:38 0.634449 0.0017 +PreconLBFGS: 35 00:01:38 0.634448 0.0013 +PreconLBFGS: 36 00:01:38 0.634447 0.0009 +PreconLBFGS: 0 00:01:38 11.881544 5.0770 +PreconLBFGS: 1 00:01:38 9.794004 4.0022 +PreconLBFGS: 2 00:01:38 7.255200 3.4746 +PreconLBFGS: 3 00:01:39 5.540273 2.7637 +PreconLBFGS: 4 00:01:39 4.030393 2.2824 +PreconLBFGS: 5 00:01:39 2.861759 1.7993 +PreconLBFGS: 6 00:01:39 1.960588 1.3805 +PreconLBFGS: 7 00:01:39 1.319087 0.9972 +PreconLBFGS: 8 00:01:39 0.913600 0.6490 +PreconLBFGS: 9 00:01:39 0.661975 0.1417 +PreconLBFGS: 10 00:01:39 0.649358 0.0762 +PreconLBFGS: 11 00:01:39 0.637452 0.0305 +PreconLBFGS: 12 00:01:39 0.636014 0.0233 +PreconLBFGS: 13 00:01:39 0.635005 0.0150 +PreconLBFGS: 14 00:01:39 0.634698 0.0076 +PreconLBFGS: 15 00:01:39 0.634546 0.0033 +PreconLBFGS: 16 00:01:39 0.634482 0.0026 +PreconLBFGS: 17 00:01:39 0.634461 0.0020 +PreconLBFGS: 18 00:01:39 0.634453 0.0012 +PreconLBFGS: 19 00:01:39 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/xrdebye.py ./doc/ase saxs.png @@ -7699,21 +7735,21 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 15:19:06 1.419426 9.802896 -BFGS: 1 15:19:06 2.139894 7.932239 -BFGS: 2 15:19:06 1.280719 4.990243 -BFGS: 3 15:19:07 2.298637 21.460333 -BFGS: 4 15:19:07 1.122419 2.768433 -BFGS: 5 15:19:07 1.081517 1.343938 -BFGS: 6 15:19:07 1.070848 0.236320 -BFGS: 7 15:19:07 1.070543 0.015684 -BFGS: 8 15:19:07 1.070541 0.000166 +BFGS: 0 00:02:20 1.419426 9.802896 +BFGS: 1 00:02:20 2.139894 7.932239 +BFGS: 2 00:02:20 1.280719 4.990243 +BFGS: 3 00:02:20 2.298637 21.460333 +BFGS: 4 00:02:20 1.122419 2.768433 +BFGS: 5 00:02:20 1.081517 1.343938 +BFGS: 6 00:02:20 1.070848 0.236320 +BFGS: 7 00:02:20 1.070543 0.015684 +BFGS: 8 00:02:20 1.070541 0.000166 relaxed : True id : 2 -unique_id : bd67fee174d8427f44cb8c79ba65fa6d -ctime : 24.6630525459268 -mtime : 24.6630525459268 -user : pbuilder1 +unique_id : c509f6605ff698e7f3394bcd2479fb1a +ctime : 25.75348380649893 +mtime : 25.75348380649893 +user : pbuilder2 numbers : [1 1] positions : [[-1.06771256e-17 1.76569494e-18 -3.95240142e-02] [ 1.86927481e-18 2.39177570e-18 7.39524014e-01]] @@ -7871,9 +7907,9 @@ ./doc/gallery sqs_cell.png running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:42 11.689927 1.0797 -BFGSLineSearch: 1[ 2] 15:21:42 11.670814 0.4090 -BFGSLineSearch: 2[ 4] 15:21:42 11.625880 0.0409 +BFGSLineSearch: 0[ 0] 00:04:30 11.689927 1.0797 +BFGSLineSearch: 1[ 2] 00:04:30 11.670814 0.4090 +BFGSLineSearch: 2[ 4] 00:04:30 11.625880 0.0409 Adsorption energy: 0.3235194223176432 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/interface-h2o.py @@ -7903,119 +7939,119 @@ [ 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] 15:21:48 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:48 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:48 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:48 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:36 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:36 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:36 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:36 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:48 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:48 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:48 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:48 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:36 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:36 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:36 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:36 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 15:21:48 4.969997 1.013167 -MDMin: 1 15:21:48 4.922173 0.852585 -MDMin: 2 15:21:48 4.833353 0.471496 -MDMin: 3 15:21:48 4.783147 0.144529 -MDMin: 4 15:21:48 4.762840 0.108253 -MDMin: 5 15:21:48 4.748802 0.124316 -MDMin: 6 15:21:48 4.738339 0.112472 -MDMin: 7 15:21:48 4.734398 0.137277 -MDMin: 8 15:21:48 4.733206 0.129119 -MDMin: 9 15:21:48 4.730681 0.106635 -MDMin: 10 15:21:48 4.728545 0.079630 -MDMin: 11 15:21:48 4.726697 0.067014 -MDMin: 12 15:21:48 4.724795 0.055330 -MDMin: 13 15:21:48 4.723081 0.039372 +MDMin: 0 00:04:36 4.969997 1.013167 +MDMin: 1 00:04:37 4.922173 0.852585 +MDMin: 2 00:04:37 4.833353 0.471496 +MDMin: 3 00:04:37 4.783147 0.144529 +MDMin: 4 00:04:37 4.762840 0.108253 +MDMin: 5 00:04:37 4.748802 0.124316 +MDMin: 6 00:04:37 4.738339 0.112472 +MDMin: 7 00:04:37 4.734398 0.137277 +MDMin: 8 00:04:37 4.733206 0.129119 +MDMin: 9 00:04:37 4.730681 0.106635 +MDMin: 10 00:04:37 4.728545 0.079630 +MDMin: 11 00:04:37 4.726697 0.067014 +MDMin: 12 00:04:37 4.724795 0.055330 +MDMin: 13 00:04:37 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] 15:21:48 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:48 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:48 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:49 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:37 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:37 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:37 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:37 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:49 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:49 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:49 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:49 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:37 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:37 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:37 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:37 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 15:21:49 7.907337 7.446816 -MDMin: 1 15:21:49 6.168331 3.684232 -MDMin: 2 15:21:49 5.448313 0.969267 -MDMin: 3 15:21:49 5.248040 0.433781 -MDMin: 4 15:21:49 5.244261 0.367859 -MDMin: 5 15:21:49 5.233889 0.261533 -MDMin: 6 15:21:49 5.217233 0.238669 -MDMin: 7 15:21:49 5.202457 0.172860 -MDMin: 8 15:21:49 5.189948 0.131786 -MDMin: 9 15:21:49 5.181586 0.103072 -MDMin: 10 15:21:49 5.178987 0.114548 -MDMin: 11 15:21:49 5.178819 0.101284 -MDMin: 12 15:21:49 5.178339 0.067445 -MDMin: 13 15:21:49 5.177568 0.051243 -MDMin: 14 15:21:49 5.176716 0.043470 +MDMin: 0 00:04:37 7.907337 7.446816 +MDMin: 1 00:04:38 6.168331 3.684232 +MDMin: 2 00:04:38 5.448313 0.969267 +MDMin: 3 00:04:38 5.248040 0.433781 +MDMin: 4 00:04:38 5.244261 0.367859 +MDMin: 5 00:04:38 5.233889 0.261533 +MDMin: 6 00:04:38 5.217233 0.238669 +MDMin: 7 00:04:38 5.202457 0.172860 +MDMin: 8 00:04:38 5.189948 0.131786 +MDMin: 9 00:04:38 5.181586 0.103072 +MDMin: 10 00:04:38 5.178987 0.114548 +MDMin: 11 00:04:38 5.178819 0.101284 +MDMin: 12 00:04:38 5.178339 0.067445 +MDMin: 13 00:04:38 5.177568 0.051243 +MDMin: 14 00:04:38 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] 15:21:49 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:49 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:49 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:49 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:38 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:38 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:38 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:38 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:49 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 15:21:49 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 15:21:49 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 15:21:49 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 00:04:38 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 00:04:38 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 00:04:39 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 00:04:39 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 15:21:49 5.433815 1.152831 -MDMin: 1 15:21:49 5.352153 1.037842 -MDMin: 2 15:21:49 5.179224 0.774873 -MDMin: 3 15:21:49 5.033743 0.467209 -MDMin: 4 15:21:49 4.952170 0.268933 -MDMin: 5 15:21:49 4.905035 0.159286 -MDMin: 6 15:21:49 4.877860 0.128152 -MDMin: 7 15:21:50 4.868891 0.139466 -MDMin: 8 15:21:50 4.868163 0.130688 -MDMin: 9 15:21:50 4.866419 0.110336 -MDMin: 10 15:21:50 4.864367 0.094365 -MDMin: 11 15:21:50 4.862194 0.089287 -MDMin: 12 15:21:50 4.859895 0.085385 -MDMin: 13 15:21:50 4.857565 0.080125 -MDMin: 14 15:21:50 4.855300 0.071964 -MDMin: 15 15:21:50 4.853137 0.058761 -MDMin: 16 15:21:50 4.851083 0.046082 +MDMin: 0 00:04:39 5.433815 1.152831 +MDMin: 1 00:04:39 5.352153 1.037842 +MDMin: 2 00:04:39 5.179224 0.774873 +MDMin: 3 00:04:39 5.033743 0.467209 +MDMin: 4 00:04:39 4.952170 0.268933 +MDMin: 5 00:04:39 4.905035 0.159286 +MDMin: 6 00:04:39 4.877860 0.128152 +MDMin: 7 00:04:39 4.868891 0.139466 +MDMin: 8 00:04:39 4.868163 0.130688 +MDMin: 9 00:04:39 4.866419 0.110336 +MDMin: 10 00:04:39 4.864367 0.094365 +MDMin: 11 00:04:39 4.862194 0.089287 +MDMin: 12 00:04:39 4.859895 0.085385 +MDMin: 13 00:04:39 4.857565 0.080125 +MDMin: 14 00:04:40 4.855300 0.071964 +MDMin: 15 00:04:40 4.853137 0.058761 +MDMin: 16 00:04:40 4.851083 0.046082 ./doc/tutorials test.txt running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:50 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 15:21:50 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 00:04:40 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 00:04:40 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:50 3.730166 1.6460 -BFGSLineSearch: 1[ 2] 15:21:50 3.546230 0.2605 -BFGSLineSearch: 2[ 4] 15:21:50 3.513795 0.1080 -BFGSLineSearch: 3[ 6] 15:21:50 3.502279 0.0500 +BFGSLineSearch: 0[ 0] 00:04:40 3.730166 1.6460 +BFGSLineSearch: 1[ 2] 00:04:40 3.546230 0.2605 +BFGSLineSearch: 2[ 4] 00:04:40 3.513795 0.1080 +BFGSLineSearch: 3[ 6] 00:04:40 3.502279 0.0500 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:50 3.764262 1.0444 -BFGSLineSearch: 1[ 2] 15:21:50 3.708446 0.1203 -BFGSLineSearch: 2[ 4] 15:21:50 3.695835 0.0668 -BFGSLineSearch: 3[ 6] 15:21:50 3.691660 0.0618 -BFGSLineSearch: 4[ 7] 15:21:50 3.690089 0.0300 +BFGSLineSearch: 0[ 0] 00:04:40 3.764262 1.0444 +BFGSLineSearch: 1[ 2] 00:04:40 3.708446 0.1203 +BFGSLineSearch: 2[ 4] 00:04:40 3.695835 0.0668 +BFGSLineSearch: 3[ 6] 00:04:40 3.691660 0.0618 +BFGSLineSearch: 4[ 7] 00:04:40 3.690089 0.0300 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:50 3.580034 0.6521 -BFGSLineSearch: 1[ 1] 15:21:50 3.544894 0.1627 -BFGSLineSearch: 2[ 3] 15:21:50 3.516850 0.1946 -BFGSLineSearch: 3[ 4] 15:21:50 3.508545 0.1325 -BFGSLineSearch: 4[ 5] 15:21:50 3.503316 0.1022 -BFGSLineSearch: 5[ 6] 15:21:50 3.500392 0.0550 -BFGSLineSearch: 6[ 8] 15:21:50 3.499584 0.0392 +BFGSLineSearch: 0[ 0] 00:04:40 3.580034 0.6521 +BFGSLineSearch: 1[ 1] 00:04:40 3.544894 0.1627 +BFGSLineSearch: 2[ 3] 00:04:40 3.516850 0.1946 +BFGSLineSearch: 3[ 4] 00:04:40 3.508545 0.1325 +BFGSLineSearch: 4[ 5] 00:04:40 3.503316 0.1022 +BFGSLineSearch: 5[ 6] 00:04:40 3.500392 0.0550 +BFGSLineSearch: 6[ 8] 00:04:40 3.499584 0.0392 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:21:50 3.463634 0.5332 -BFGSLineSearch: 1[ 2] 15:21:50 3.356702 0.4028 -BFGSLineSearch: 2[ 3] 15:21:50 3.333298 0.1536 -BFGSLineSearch: 3[ 4] 15:21:50 3.322604 0.1003 -BFGSLineSearch: 4[ 5] 15:21:50 3.318477 0.0658 -BFGSLineSearch: 5[ 6] 15:21:50 3.316534 0.0483 +BFGSLineSearch: 0[ 0] 00:04:40 3.463634 0.5332 +BFGSLineSearch: 1[ 2] 00:04:40 3.356702 0.4028 +BFGSLineSearch: 2[ 3] 00:04:40 3.333298 0.1536 +BFGSLineSearch: 3[ 4] 00:04:40 3.322604 0.1003 +BFGSLineSearch: 4[ 5] 00:04:40 3.318477 0.0658 +BFGSLineSearch: 5[ 6] 00:04:40 3.316534 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -8060,581 +8096,582 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 522 +References: 523 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu8Pt16 -1.144 -3 Cu12Pt12 -1.667 -4 Cu14Pt10 -1.856 -5 Cu7Pt17 -0.996 -6 Cu18Pt6 -1.237 -7 Cu18Pt6 -1.564 -8 Cu19Pt5 -1.434 -9 Cu22Pt2 -0.683 -10 Cu7Pt17 -1.582 -11 Cu14Pt10 -1.907 -12 Cu5Pt19 -0.857 -13 Cu19Pt5 -1.336 -14 Cu22Pt2 -0.629 -15 Cu17Pt7 -1.341 -16 Cu2Pt22 -0.501 -17 Cu7Pt17 -1.259 -18 Cu11Pt13 -1.735 -19 CuPt23 -0.336 -20 Cu5Pt19 -0.961 -21 Cu9Pt15 -1.689 -22 Cu12Pt12 -1.673 -23 Cu15Pt9 -1.761 -24 Cu11Pt13 -1.846 -25 Cu9Pt15 -1.729 -26 Cu15Pt9 -1.604 -27 Cu17Pt7 -0.939 -28 Cu19Pt5 -1.505 -29 Cu4Pt20 -0.820 -30 Cu22Pt2 -0.521 -31 Cu21Pt3 -0.948 -32 Cu13Pt11 -1.743 -33 Cu13Pt11 -1.990 -34 Cu14Pt10 -1.473 -35 Cu21Pt3 -0.888 -36 Cu17Pt7 -1.484 -37 Cu23Pt -0.359 -38 Cu8Pt16 -1.625 -39 Cu2Pt22 -0.449 -40 Cu3Pt21 -0.889 -41 Cu19Pt5 -1.443 -42 Cu2Pt22 -0.431 -43 Cu12Pt12 -1.674 -44 Cu10Pt14 -1.487 -45 Cu10Pt14 -1.436 -46 Cu19Pt5 -1.144 -47 Cu19Pt5 -1.299 -48 Cu8Pt16 -1.656 -49 Cu8Pt16 -1.454 -50 Cu16Pt8 -1.285 -51 Cu8Pt16 -1.253 -52 Cu7Pt17 -1.203 -53 Cu13Pt11 -2.057 -54 Cu10Pt14 -1.524 -55 Cu17Pt7 -1.719 -56 Cu8Pt16 -0.846 -57 Cu21Pt3 -0.802 -58 Cu2Pt22 -0.501 -59 Cu7Pt17 -1.231 -60 Cu16Pt8 -1.737 -61 Cu3Pt21 -0.736 -62 Cu7Pt17 -1.606 -63 Cu11Pt13 -2.000 -64 Cu3Pt21 -0.707 -65 Cu17Pt7 -1.194 -66 Cu8Pt16 -1.673 -67 Cu8Pt16 -1.483 -68 Cu9Pt15 -1.672 -69 Cu9Pt15 -1.108 -70 Cu11Pt13 -1.353 -71 Cu11Pt13 -1.789 -72 Cu17Pt7 -1.544 -73 Cu16Pt8 -1.672 -74 Cu7Pt17 -1.727 -75 Cu10Pt14 -1.712 -76 Cu7Pt17 -1.508 -77 Cu12Pt12 -1.735 -78 Cu15Pt9 -1.880 -79 Cu14Pt10 -0.509 -80 Cu16Pt8 -1.627 -81 Cu18Pt6 -1.203 -82 Cu6Pt18 -1.422 -83 Cu19Pt5 -1.370 -84 Cu10Pt14 -0.453 -85 Cu14Pt10 -1.609 -86 Cu11Pt13 -1.441 -87 Cu21Pt3 -0.888 -88 Cu12Pt12 -2.011 -89 CuPt23 -0.336 -90 Cu5Pt19 -0.910 -91 Cu12Pt12 -1.575 -92 Cu14Pt10 -1.989 -93 Cu20Pt4 -1.222 -94 Cu19Pt5 -1.203 -95 Cu6Pt18 -1.167 -96 Cu16Pt8 -1.345 -97 Cu12Pt12 -1.784 -98 Cu8Pt16 -1.265 -99 Cu10Pt14 -1.637 -100 Cu11Pt13 -0.499 -101 Cu14Pt10 -1.943 -102 Cu9Pt15 -1.689 -103 Cu19Pt5 -1.048 -104 Cu11Pt13 -1.701 -105 Cu10Pt14 -1.740 -106 Cu22Pt2 -0.689 -107 Cu22Pt2 -0.521 -108 Cu19Pt5 -1.256 -109 Cu19Pt5 -0.932 -110 Cu13Pt11 -1.498 -111 Cu8Pt16 -1.656 -112 Cu5Pt19 -1.398 -113 CuPt23 -0.336 -114 Cu11Pt13 -1.434 -115 Cu21Pt3 -1.007 -116 Cu16Pt8 -1.464 -117 Cu3Pt21 -0.734 -118 Cu2Pt22 -0.501 -119 Cu20Pt4 -1.216 -120 Cu9Pt15 -1.732 -121 Cu21Pt3 -0.935 -122 Cu5Pt19 -0.961 -123 Cu12Pt12 -1.868 -124 Cu11Pt13 -1.986 -125 Cu13Pt11 -1.962 -126 Cu21Pt3 -0.699 -127 Cu16Pt8 -1.799 -128 Cu5Pt19 -1.024 -129 Cu16Pt8 -1.381 -130 Cu17Pt7 -1.478 -131 Cu12Pt12 -1.820 -132 Cu7Pt17 -1.285 -133 Cu6Pt18 -1.214 -134 Cu12Pt12 -1.935 -135 Cu16Pt8 -1.779 -136 Cu11Pt13 -1.857 -137 Cu18Pt6 -1.005 -138 Cu13Pt11 -1.626 -139 Cu15Pt9 -1.518 -140 Cu9Pt15 -1.548 -141 Cu3Pt21 -0.746 -142 Cu5Pt19 -0.975 -143 Cu13Pt11 -1.809 -144 Cu8Pt16 -1.454 -145 Cu16Pt8 -1.151 -146 Cu8Pt16 -1.715 -147 Cu7Pt17 -1.185 -148 Cu18Pt6 -1.727 -149 Cu9Pt15 -1.872 -150 Cu12Pt12 -1.861 -151 Cu21Pt3 -0.977 -152 Cu9Pt15 -1.860 -153 Cu21Pt3 -0.978 -154 Cu19Pt5 -1.244 -155 Cu2Pt22 -0.449 -156 Cu10Pt14 -0.885 -157 Cu2Pt22 -0.381 -158 Cu16Pt8 -1.682 -159 Cu7Pt17 -1.367 -160 Cu7Pt17 -1.326 -161 Cu19Pt5 -1.159 -162 Cu11Pt13 -2.022 -163 Cu3Pt21 -0.796 -164 Cu7Pt17 -1.552 -165 Cu14Pt10 -1.994 -166 CuPt23 -0.336 -167 Cu16Pt8 -1.576 -168 Cu4Pt20 -0.999 -169 Cu19Pt5 -1.327 -170 Cu20Pt4 -1.278 -171 Cu17Pt7 -1.555 -172 Cu4Pt20 -1.039 -173 Cu8Pt16 -1.681 -174 Cu19Pt5 -1.327 -175 Cu16Pt8 -1.597 -176 Cu11Pt13 -1.794 -177 Cu19Pt5 -1.434 -178 Cu6Pt18 -1.341 -179 Cu2Pt22 -0.623 -180 Cu12Pt12 -1.210 -181 Cu9Pt15 -1.608 -182 Cu13Pt11 -1.919 -183 Cu8Pt16 -1.778 -184 Cu16Pt8 -1.487 -185 Cu17Pt7 -1.692 -186 Cu8Pt16 -1.569 -187 Cu18Pt6 -1.672 -188 Cu15Pt9 -1.730 -189 Cu17Pt7 -1.579 -190 Cu9Pt15 -1.537 -191 Cu20Pt4 -1.182 -192 Cu7Pt17 -1.474 -193 Cu8Pt16 -1.360 -194 Cu2Pt22 -0.623 -195 Cu18Pt6 -1.486 -196 Cu20Pt4 -1.151 -197 Cu9Pt15 -1.785 -198 Cu3Pt21 -0.823 -199 Cu11Pt13 -1.903 -200 Cu6Pt18 -1.299 -201 Cu4Pt20 -0.828 -202 Cu14Pt10 -1.832 -203 Cu5Pt19 -1.147 -204 Cu9Pt15 -1.418 -205 Cu16Pt8 -0.976 -206 Cu14Pt10 -1.991 -207 Cu7Pt17 -1.403 -208 Cu7Pt17 -1.686 -209 Cu22Pt2 -0.676 -210 Cu21Pt3 -0.774 -211 Cu11Pt13 -2.017 -212 Cu13Pt11 -1.558 -213 Cu12Pt12 -2.014 -214 Cu9Pt15 -1.746 -215 Cu11Pt13 -2.155 -216 Cu12Pt12 -1.349 -217 Cu8Pt16 -1.799 -218 Cu17Pt7 -1.551 -219 Cu16Pt8 -1.737 -220 Cu15Pt9 -1.441 -221 Cu13Pt11 -1.951 -222 Cu11Pt13 -0.870 -223 Cu20Pt4 -1.165 -224 Cu2Pt22 -0.565 -225 Cu9Pt15 -1.705 -226 Cu6Pt18 -1.426 -227 Cu5Pt19 -1.398 -228 Cu2Pt22 -0.509 -229 Cu13Pt11 -1.946 -230 Cu18Pt6 -1.265 -231 Cu7Pt17 -1.680 -232 Cu10Pt14 -1.292 -233 Cu13Pt11 -1.432 -234 Cu19Pt5 -1.240 -235 Cu2Pt22 -0.709 -236 Cu2Pt22 -0.501 -237 Cu3Pt21 -0.663 -238 Cu15Pt9 -1.238 -239 Cu16Pt8 -1.387 -240 Cu11Pt13 -2.078 -241 Cu8Pt16 -1.604 -242 Cu3Pt21 -0.935 -243 Cu17Pt7 -0.722 -244 Cu2Pt22 -0.431 -245 Cu5Pt19 -1.314 -246 Cu13Pt11 -2.104 -247 Cu11Pt13 -1.744 -248 Cu15Pt9 -1.667 -249 Cu10Pt14 -1.587 -250 Cu20Pt4 -1.235 -251 Cu16Pt8 -0.976 -252 Cu12Pt12 -1.420 -253 Cu3Pt21 -0.850 -254 Cu7Pt17 -1.094 -255 Cu12Pt12 -1.899 -256 Cu10Pt14 -1.852 -257 Cu11Pt13 -1.821 -258 Cu10Pt14 -1.757 -259 Cu20Pt4 -1.167 -260 Cu10Pt14 -1.458 -261 Cu10Pt14 -1.879 -262 Cu9Pt15 -1.589 -263 Cu7Pt17 -1.333 -264 Cu14Pt10 -1.928 -265 Cu9Pt15 -1.432 -266 Cu21Pt3 -0.513 -267 Cu21Pt3 -0.941 -268 Cu14Pt10 -1.896 -269 Cu17Pt7 -1.655 -270 Cu12Pt12 -2.015 -271 Cu8Pt16 -0.088 -272 Cu17Pt7 -1.758 -273 Cu2Pt22 -0.449 -274 Cu15Pt9 -1.678 -275 Cu15Pt9 -1.634 -276 Cu14Pt10 -1.866 -277 Cu12Pt12 -1.746 -278 Cu15Pt9 -1.793 -279 Cu22Pt2 -0.657 -280 Cu12Pt12 -1.941 -281 Cu17Pt7 -1.797 -282 Cu18Pt6 -1.300 -283 Cu10Pt14 -1.573 -284 Cu23Pt -0.309 -285 Cu16Pt8 -1.741 -286 Cu3Pt21 -0.889 -287 Cu11Pt13 -1.868 -288 Cu15Pt9 -1.769 -289 Cu15Pt9 -0.930 -290 Cu22Pt2 -0.521 -291 Cu17Pt7 -1.699 -292 Cu9Pt15 -1.418 -293 Cu3Pt21 -0.791 -294 Cu7Pt17 -1.367 -295 Cu8Pt16 -1.709 -296 CuPt23 -0.336 -297 Cu4Pt20 -0.717 -298 Cu15Pt9 -1.747 -299 Cu14Pt10 -1.783 -300 Cu16Pt8 -1.942 -301 Cu14Pt10 -1.857 -302 Cu8Pt16 -1.760 -303 Cu16Pt8 -1.209 -304 Cu6Pt18 -1.426 -305 Cu22Pt2 -0.560 -306 Cu8Pt16 -1.746 -307 Cu15Pt9 -1.291 -308 Cu19Pt5 -1.512 -309 Cu20Pt4 -1.124 -310 Cu2Pt22 -0.623 -311 Cu11Pt13 -1.299 -312 Cu12Pt12 -1.850 -313 Cu21Pt3 -0.904 -314 Cu8Pt16 -1.196 -315 Cu11Pt13 -2.156 -316 Cu7Pt17 -1.710 -317 Cu4Pt20 -1.219 -318 Cu7Pt17 -1.582 -319 Cu20Pt4 -1.016 -320 Cu9Pt15 -1.790 -321 Cu16Pt8 -1.101 -322 Cu15Pt9 -1.905 -323 Cu9Pt15 -1.660 -324 Cu6Pt18 -1.155 -325 Cu15Pt9 -1.866 -326 Cu20Pt4 -1.231 -327 Cu6Pt18 -1.450 -328 Cu19Pt5 -1.505 -329 Cu6Pt18 -1.085 -330 Cu11Pt13 -1.583 -331 Cu10Pt14 -2.101 -332 Cu6Pt18 -1.233 -333 Cu10Pt14 -1.961 -334 Cu3Pt21 -0.707 -335 Cu17Pt7 -1.602 -336 Cu4Pt20 -0.964 -337 Cu3Pt21 -0.946 -338 Cu7Pt17 -1.335 -339 Cu5Pt19 -1.259 -340 Cu18Pt6 -1.388 -341 Cu19Pt5 -1.400 -342 CuPt23 -0.336 -343 Cu16Pt8 -1.710 -344 Cu17Pt7 -1.453 -345 Cu3Pt21 -0.661 -346 Cu21Pt3 -1.020 -347 Cu15Pt9 -1.852 -348 Cu17Pt7 -1.018 -349 Cu6Pt18 -1.426 -350 Cu2Pt22 -0.577 -351 Cu18Pt6 -1.509 -352 Cu6Pt18 -1.469 -353 Cu11Pt13 -1.705 -354 Cu11Pt13 -1.872 -355 Cu7Pt17 -1.719 -356 Cu15Pt9 -1.830 -357 Cu7Pt17 -1.795 -358 Cu6Pt18 -1.514 -359 Cu19Pt5 -1.518 -360 CuPt23 -0.224 -361 Cu9Pt15 -1.813 -362 Cu11Pt13 -1.293 -363 Cu6Pt18 -1.082 -364 Cu15Pt9 -1.859 -365 Cu11Pt13 -1.938 -366 Cu10Pt14 -1.840 -367 Cu4Pt20 -0.960 -368 Cu19Pt5 -1.245 -369 Cu8Pt16 -1.759 -370 Cu4Pt20 -1.008 -371 Cu9Pt15 -1.742 -372 Cu21Pt3 -1.007 -373 Cu15Pt9 -1.974 -374 Cu23Pt -0.309 -375 Cu4Pt20 -1.140 -376 Cu2Pt22 -0.709 -377 Cu12Pt12 -1.381 -378 Cu7Pt17 -1.582 -379 CuPt23 -0.224 -380 Cu10Pt14 -1.678 -381 Cu22Pt2 -0.560 -382 Cu9Pt15 -0.657 -383 Cu15Pt9 -1.979 -384 Cu8Pt16 -1.886 -385 Cu10Pt14 -1.666 -386 Cu13Pt11 -1.668 -387 Cu6Pt18 -1.531 -388 Cu12Pt12 -1.525 -389 Cu12Pt12 -1.563 -390 Cu16Pt8 -0.716 -391 Cu16Pt8 -1.522 -392 Cu10Pt14 -1.958 -393 Cu13Pt11 -2.107 -394 Cu9Pt15 -1.454 -395 Cu5Pt19 -1.150 -396 Cu14Pt10 -1.588 -397 Cu2Pt22 -0.545 -398 Cu10Pt14 -1.928 -399 Cu17Pt7 -1.348 -400 Cu18Pt6 -1.650 -401 Cu12Pt12 -1.586 -402 Cu4Pt20 -1.138 -403 Cu16Pt8 -1.625 -404 Cu11Pt13 -1.338 -405 Cu3Pt21 -0.946 -406 Cu23Pt -0.359 -407 Cu6Pt18 -1.506 -408 Cu18Pt6 -1.681 -409 Cu11Pt13 -1.553 -410 Cu8Pt16 -1.804 -411 Cu12Pt12 -1.618 -412 Cu9Pt15 -1.832 -413 Cu21Pt3 -0.904 -414 Cu16Pt8 -1.585 -415 Cu6Pt18 -1.371 -416 Cu22Pt2 -0.626 -417 Cu13Pt11 -1.455 -418 Cu6Pt18 -1.470 -419 Cu16Pt8 -1.747 -420 Cu12Pt12 -1.256 -421 Cu9Pt15 -1.908 -422 Cu3Pt21 -0.946 -423 Cu13Pt11 -1.471 -424 Cu22Pt2 -0.560 -425 Cu13Pt11 -1.319 -426 Cu14Pt10 -1.731 -427 Cu7Pt17 -1.679 -428 Cu17Pt7 -1.813 -429 Cu21Pt3 -0.890 -430 Cu19Pt5 -1.048 -431 Cu13Pt11 -1.854 -432 Cu2Pt22 -0.381 -433 Cu21Pt3 -0.888 -434 Cu9Pt15 -1.653 -435 Cu3Pt21 -0.661 -436 Cu15Pt9 -1.767 -437 Cu17Pt7 -1.701 -438 Cu11Pt13 -2.140 -439 CuPt23 -0.224 -440 Cu3Pt21 -0.889 -441 Cu4Pt20 -1.219 -442 Cu21Pt3 -0.941 -443 Cu15Pt9 -2.119 -444 Cu4Pt20 -1.113 -445 Cu13Pt11 -1.761 -446 Cu22Pt2 -0.599 -447 Cu21Pt3 -0.904 -448 Cu23Pt -0.359 -449 Cu4Pt20 -1.052 -450 CuPt23 -0.336 -451 Cu5Pt19 -0.850 -452 Cu8Pt16 -1.835 -453 Cu21Pt3 -0.933 -454 Cu11Pt13 -2.095 -455 Cu11Pt13 -1.945 -456 Cu10Pt14 -1.845 -457 Cu11Pt13 -1.995 -458 Cu18Pt6 -1.567 -459 Cu16Pt8 -1.549 -460 Cu5Pt19 -1.232 -461 Cu13Pt11 -2.044 -462 Cu11Pt13 -1.566 -463 Cu2Pt22 -0.565 -464 Cu6Pt18 -1.372 -465 Cu10Pt14 -1.406 -466 Cu2Pt22 -0.623 -467 Cu5Pt19 -1.398 -468 Cu5Pt19 -1.229 -469 Cu10Pt14 -1.719 -470 Cu18Pt6 -1.548 -471 Cu9Pt15 -1.098 -472 Cu3Pt21 -0.946 -473 Cu9Pt15 -1.987 -474 Cu15Pt9 -1.858 -475 Cu18Pt6 -1.481 -476 Cu16Pt8 -1.791 -477 Cu4Pt20 -1.063 -478 Cu13Pt11 -1.884 -479 Pt24 -0.000 -480 Cu15Pt9 -1.928 -481 Cu5Pt19 -1.296 -482 Cu18Pt6 -1.649 -483 Cu19Pt5 -1.444 -484 Cu16Pt8 -1.945 -485 Cu18Pt6 -1.240 -486 Cu15Pt9 -1.895 -487 Cu4Pt20 -1.113 -488 Cu19Pt5 -1.353 -489 Cu7Pt17 -0.861 -490 Cu13Pt11 -2.054 -491 Cu11Pt13 -1.790 -492 Cu10Pt14 -1.568 -493 Cu15Pt9 -1.513 -494 Cu14Pt10 -0.828 -495 Cu15Pt9 -1.849 -496 Cu13Pt11 -1.890 -497 Cu12Pt12 -1.313 -498 Cu14Pt10 -2.042 -499 Cu14Pt10 -2.128 -500 Cu12Pt12 -1.672 -501 Cu12Pt12 -1.211 -502 Cu11Pt13 -1.958 -503 Cu16Pt8 -1.872 -504 Cu12Pt12 -1.820 -505 Cu13Pt11 -1.827 -506 Cu14Pt10 -1.911 -507 Cu12Pt12 -2.005 -508 Cu6Pt18 -1.491 -509 Cu15Pt9 -1.797 -510 Cu5Pt19 -1.249 -511 Cu4Pt20 -1.132 -512 Cu9Pt15 -1.765 -513 Cu9Pt15 -1.866 -514 Cu12Pt12 -2.078 -515 Cu16Pt8 -1.862 -516 Cu13Pt11 -1.777 -517 Cu21Pt3 -0.851 -518 Cu9Pt15 -1.533 -519 Cu15Pt9 -1.669 -520 Cu13Pt11 -1.789 -521 Cu14Pt10 -2.018 +2 Cu7Pt17 -1.439 +3 Cu22Pt2 -0.560 +4 Cu13Pt11 -1.886 +5 Cu16Pt8 -1.624 +6 Cu5Pt19 -1.227 +7 CuPt23 -0.224 +8 Cu5Pt19 -1.070 +9 Cu16Pt8 -1.593 +10 Cu4Pt20 -0.831 +11 Cu20Pt4 -1.140 +12 Cu7Pt17 -1.548 +13 Cu7Pt17 -1.553 +14 Cu16Pt8 -1.760 +15 Cu2Pt22 -0.381 +16 Cu15Pt9 -1.277 +17 Cu19Pt5 -1.130 +18 Cu8Pt16 -1.559 +19 Cu22Pt2 -0.689 +20 Cu4Pt20 -1.025 +21 Cu2Pt22 -0.711 +22 Cu11Pt13 -1.734 +23 Cu23Pt -0.359 +24 Cu19Pt5 -1.266 +25 Cu4Pt20 -0.828 +26 Cu21Pt3 -0.847 +27 Cu14Pt10 -1.193 +28 Cu20Pt4 -0.740 +29 Cu2Pt22 -0.577 +30 Cu17Pt7 -1.425 +31 Cu10Pt14 -1.376 +32 CuPt23 -0.224 +33 Cu9Pt15 -1.683 +34 Cu19Pt5 -1.339 +35 Cu22Pt2 -0.433 +36 Cu8Pt16 -1.674 +37 Cu8Pt16 -1.620 +38 Cu15Pt9 -0.967 +39 Cu7Pt17 -1.157 +40 Cu14Pt10 -1.619 +41 Cu11Pt13 -1.570 +42 Cu5Pt19 -1.271 +43 Cu2Pt22 -0.509 +44 Cu16Pt8 -1.630 +45 Cu10Pt14 -1.803 +46 Cu7Pt17 -1.164 +47 Cu5Pt19 -0.999 +48 Cu18Pt6 -1.724 +49 Cu11Pt13 -1.614 +50 Cu2Pt22 -0.444 +51 Cu14Pt10 -1.618 +52 Cu19Pt5 -1.121 +53 Cu13Pt11 -1.705 +54 Cu10Pt14 -1.596 +55 Cu9Pt15 -1.650 +56 Cu14Pt10 -1.193 +57 Cu22Pt2 -0.521 +58 Cu20Pt4 -1.178 +59 CuPt23 -0.224 +60 Cu4Pt20 -0.983 +61 Cu5Pt19 -1.063 +62 Cu19Pt5 -1.265 +63 Cu5Pt19 -1.357 +64 Cu8Pt16 -1.537 +65 Cu20Pt4 -1.112 +66 Cu7Pt17 -0.688 +67 Cu5Pt19 -1.196 +68 Cu9Pt15 -1.447 +69 Cu20Pt4 -0.993 +70 Cu8Pt16 -1.423 +71 Cu19Pt5 -1.315 +72 Cu9Pt15 -1.652 +73 Cu2Pt22 -0.501 +74 Cu19Pt5 -1.126 +75 Cu19Pt5 -1.290 +76 Cu13Pt11 -1.826 +77 Cu14Pt10 -1.212 +78 Cu19Pt5 -1.269 +79 Cu11Pt13 -1.633 +80 Cu8Pt16 -1.225 +81 Cu9Pt15 -1.800 +82 Cu13Pt11 -1.949 +83 Cu9Pt15 -1.614 +84 Cu13Pt11 -1.213 +85 Cu3Pt21 -0.950 +86 Cu13Pt11 -0.594 +87 Cu15Pt9 -1.778 +88 Cu16Pt8 -1.843 +89 Cu5Pt19 -1.005 +90 Cu4Pt20 -0.828 +91 Cu3Pt21 -0.894 +92 Cu10Pt14 -1.333 +93 Cu18Pt6 -0.998 +94 Cu4Pt20 -0.946 +95 Cu13Pt11 -0.413 +96 Cu22Pt2 -0.683 +97 Cu8Pt16 -1.167 +98 Cu15Pt9 -1.407 +99 Cu12Pt12 -1.301 +100 Cu14Pt10 -1.821 +101 Cu3Pt21 -0.599 +102 Cu2Pt22 -0.545 +103 Cu18Pt6 -1.313 +104 Cu17Pt7 -1.561 +105 Cu5Pt19 -0.981 +106 Cu7Pt17 -1.086 +107 Cu8Pt16 -1.664 +108 Cu12Pt12 -1.682 +109 Cu14Pt10 -1.499 +110 Cu8Pt16 -1.667 +111 Cu11Pt13 -0.606 +112 Cu13Pt11 -1.176 +113 Cu11Pt13 -0.929 +114 Cu9Pt15 -1.743 +115 Cu12Pt12 -1.126 +116 Cu14Pt10 -1.959 +117 Cu20Pt4 -1.069 +118 Cu10Pt14 -1.594 +119 Cu10Pt14 -1.931 +120 Cu18Pt6 -1.661 +121 Cu14Pt10 -2.000 +122 Cu7Pt17 -1.327 +123 Cu9Pt15 -1.511 +124 Cu18Pt6 -1.005 +125 Cu2Pt22 -0.709 +126 Cu20Pt4 -1.178 +127 Cu3Pt21 -0.746 +128 Cu18Pt6 -1.640 +129 Cu2Pt22 -0.509 +130 CuPt23 -0.224 +131 Cu6Pt18 -1.182 +132 Cu2Pt22 -0.623 +133 Cu12Pt12 -1.739 +134 Cu17Pt7 -1.579 +135 Cu14Pt10 -1.595 +136 Cu11Pt13 -0.363 +137 Cu23Pt -0.359 +138 Cu9Pt15 -1.741 +139 Cu17Pt7 -1.618 +140 Cu19Pt5 -1.377 +141 Cu19Pt5 -0.527 +142 Cu4Pt20 -0.963 +143 Cu10Pt14 -1.539 +144 Cu11Pt13 -1.788 +145 Cu20Pt4 -1.275 +146 Cu15Pt9 -1.522 +147 Cu23Pt -0.309 +148 Cu12Pt12 -1.714 +149 Cu7Pt17 -1.494 +150 Cu14Pt10 -1.847 +151 Cu9Pt15 -1.413 +152 Cu9Pt15 -0.754 +153 Cu11Pt13 -1.417 +154 Cu16Pt8 -1.818 +155 Cu10Pt14 -1.786 +156 Cu5Pt19 -0.953 +157 Cu11Pt13 -1.484 +158 Cu13Pt11 -1.529 +159 Cu13Pt11 -1.962 +160 Cu9Pt15 -0.280 +161 CuPt23 -0.336 +162 Cu10Pt14 -1.200 +163 Cu13Pt11 -1.781 +164 Cu8Pt16 -1.554 +165 Cu21Pt3 -0.732 +166 Cu12Pt12 -1.757 +167 Cu12Pt12 -1.697 +168 Cu23Pt -0.359 +169 Cu9Pt15 -1.000 +170 Cu8Pt16 -1.690 +171 Cu6Pt18 -1.403 +172 Cu2Pt22 -0.545 +173 Cu5Pt19 -1.130 +174 Cu21Pt3 -0.933 +175 Cu10Pt14 -1.738 +176 Cu17Pt7 -1.636 +177 Cu17Pt7 -1.593 +178 Cu7Pt17 -1.458 +179 Cu15Pt9 -1.629 +180 Cu19Pt5 -1.380 +181 Cu15Pt9 -1.675 +182 Cu9Pt15 -1.600 +183 Cu4Pt20 -1.129 +184 Cu21Pt3 -0.890 +185 Cu18Pt6 -1.693 +186 Cu5Pt19 -1.131 +187 Cu4Pt20 -0.901 +188 Cu7Pt17 -1.412 +189 Cu11Pt13 -1.741 +190 Cu15Pt9 -1.909 +191 Cu23Pt -0.309 +192 Cu10Pt14 -1.001 +193 Cu11Pt13 -1.585 +194 Cu11Pt13 -0.848 +195 Cu13Pt11 -1.753 +196 Cu4Pt20 -1.070 +197 Cu5Pt19 -1.242 +198 Cu13Pt11 -1.731 +199 Cu21Pt3 -1.010 +200 Cu19Pt5 -1.452 +201 Cu24 0.000 +202 Cu18Pt6 -0.748 +203 Cu7Pt17 -1.307 +204 Cu9Pt15 -1.638 +205 Cu15Pt9 -1.455 +206 Cu10Pt14 -1.893 +207 Cu9Pt15 -1.547 +208 Cu12Pt12 -1.716 +209 Cu19Pt5 -1.206 +210 Cu8Pt16 -1.670 +211 Cu20Pt4 -1.059 +212 Cu4Pt20 -1.122 +213 Cu15Pt9 -1.880 +214 Cu3Pt21 -0.946 +215 Cu24 -0.000 +216 Cu12Pt12 -1.777 +217 Cu5Pt19 -1.290 +218 Cu18Pt6 -1.014 +219 Cu12Pt12 -1.874 +220 Cu17Pt7 -1.648 +221 Cu20Pt4 -1.062 +222 Cu23Pt -0.309 +223 Cu6Pt18 -1.245 +224 Cu13Pt11 -1.629 +225 Cu5Pt19 -1.254 +226 Cu9Pt15 -1.684 +227 Cu6Pt18 -1.532 +228 Cu19Pt5 -1.437 +229 Cu11Pt13 -1.489 +230 Cu15Pt9 -1.702 +231 Cu22Pt2 -0.753 +232 Cu9Pt15 -1.355 +233 Cu7Pt17 -1.493 +234 Cu8Pt16 -1.554 +235 Cu14Pt10 -1.922 +236 Cu9Pt15 -1.645 +237 Cu10Pt14 -1.961 +238 Cu15Pt9 -1.966 +239 Cu17Pt7 -1.651 +240 Cu11Pt13 -2.143 +241 Cu18Pt6 -1.293 +242 Cu21Pt3 -1.014 +243 Cu16Pt8 -1.728 +244 Cu14Pt10 -1.996 +245 Cu5Pt19 -1.153 +246 Cu15Pt9 -1.206 +247 Cu14Pt10 -1.274 +248 Cu20Pt4 -1.197 +249 Cu10Pt14 -1.943 +250 Cu9Pt15 -1.766 +251 Cu18Pt6 -1.270 +252 Cu13Pt11 -2.156 +253 Cu3Pt21 -0.796 +254 Cu11Pt13 -1.244 +255 Cu16Pt8 -1.759 +256 Cu4Pt20 -1.129 +257 Cu4Pt20 -1.078 +258 Cu17Pt7 -1.333 +259 Cu17Pt7 -1.163 +260 Cu18Pt6 -1.348 +261 Cu9Pt15 -1.682 +262 Cu14Pt10 -1.290 +263 Cu16Pt8 -1.514 +264 Cu16Pt8 -1.686 +265 Cu6Pt18 -1.474 +266 Cu2Pt22 -0.501 +267 Cu3Pt21 -0.896 +268 CuPt23 -0.336 +269 Cu20Pt4 -1.213 +270 Cu3Pt21 -0.950 +271 Cu6Pt18 -1.542 +272 Cu4Pt20 -0.978 +273 Cu8Pt16 -1.805 +274 Cu16Pt8 -1.810 +275 Cu7Pt17 -1.510 +276 Cu11Pt13 -0.772 +277 Cu18Pt6 -1.656 +278 Cu16Pt8 -1.530 +279 Cu18Pt6 -1.086 +280 Cu11Pt13 -1.682 +281 Cu14Pt10 -1.707 +282 Cu12Pt12 -1.982 +283 Cu17Pt7 -1.153 +284 Cu7Pt17 -1.543 +285 Cu7Pt17 -1.312 +286 Pt24 -0.000 +287 Cu13Pt11 -0.982 +288 Cu17Pt7 -1.650 +289 Cu19Pt5 -1.461 +290 Cu8Pt16 -1.759 +291 Cu15Pt9 -1.674 +292 Cu18Pt6 -1.467 +293 Cu5Pt19 -1.015 +294 Cu11Pt13 -1.769 +295 Cu23Pt -0.309 +296 Cu4Pt20 -1.025 +297 Cu18Pt6 -1.655 +298 Cu17Pt7 -1.752 +299 CuPt23 -0.224 +300 Cu17Pt7 -1.529 +301 Cu4Pt20 -1.121 +302 Cu16Pt8 -1.829 +303 Cu6Pt18 -1.434 +304 Cu9Pt15 -1.607 +305 Cu15Pt9 -1.906 +306 Cu17Pt7 -1.612 +307 Cu13Pt11 -1.608 +308 Cu10Pt14 -1.266 +309 Cu11Pt13 -1.713 +310 Cu16Pt8 -1.350 +311 Cu17Pt7 -1.753 +312 Cu19Pt5 -1.438 +313 Cu13Pt11 -1.495 +314 Cu22Pt2 -0.615 +315 Cu13Pt11 -1.544 +316 Cu2Pt22 -0.577 +317 Cu7Pt17 -0.969 +318 Cu10Pt14 -1.726 +319 Cu2Pt22 -0.340 +320 Cu17Pt7 -1.733 +321 Cu9Pt15 -0.826 +322 Cu3Pt21 -0.894 +323 Cu13Pt11 -1.980 +324 Cu12Pt12 -1.897 +325 Cu7Pt17 -1.686 +326 Cu21Pt3 -1.060 +327 Cu21Pt3 -0.903 +328 Cu23Pt -0.359 +329 Cu22Pt2 -0.560 +330 Cu2Pt22 -0.711 +331 Cu21Pt3 -1.014 +332 Cu22Pt2 -0.683 +333 Cu15Pt9 -2.076 +334 Cu12Pt12 -1.961 +335 Cu20Pt4 -1.023 +336 Cu22Pt2 -0.676 +337 Cu9Pt15 -1.936 +338 Cu7Pt17 -1.659 +339 Cu15Pt9 -1.818 +340 Cu18Pt6 -1.603 +341 Cu8Pt16 -1.475 +342 Cu16Pt8 -1.751 +343 Cu4Pt20 -1.025 +344 Cu16Pt8 -1.795 +345 Cu11Pt13 -1.470 +346 Cu6Pt18 -1.492 +347 Cu10Pt14 -1.639 +348 Cu5Pt19 -1.198 +349 Cu9Pt15 -1.452 +350 Cu4Pt20 -0.946 +351 Cu15Pt9 -1.970 +352 Cu12Pt12 -1.976 +353 Cu12Pt12 -1.581 +354 Cu13Pt11 -1.931 +355 Cu19Pt5 -1.321 +356 Cu10Pt14 -1.890 +357 Cu11Pt13 -1.556 +358 Cu23Pt -0.309 +359 Cu16Pt8 -1.848 +360 Cu14Pt10 -1.986 +361 Cu9Pt15 -1.643 +362 Cu6Pt18 -1.456 +363 Cu3Pt21 -0.894 +364 Cu11Pt13 -1.740 +365 Cu3Pt21 -0.950 +366 Cu8Pt16 -1.608 +367 Cu13Pt11 -1.865 +368 Cu9Pt15 -1.843 +369 Cu4Pt20 -1.081 +370 CuPt23 -0.224 +371 Cu13Pt11 -1.513 +372 Cu13Pt11 -1.919 +373 Cu15Pt9 -1.978 +374 Cu4Pt20 -0.971 +375 CuPt23 -0.224 +376 Cu12Pt12 -1.779 +377 Cu11Pt13 -1.957 +378 Cu15Pt9 -1.862 +379 Cu18Pt6 -1.505 +380 Cu10Pt14 -1.935 +381 Cu10Pt14 -1.625 +382 Cu21Pt3 -0.941 +383 Cu21Pt3 -0.936 +384 Cu17Pt7 -1.820 +385 Cu10Pt14 -2.065 +386 Cu16Pt8 -1.347 +387 Pt24 0.000 +388 Cu13Pt11 -1.705 +389 Cu7Pt17 -1.525 +390 Cu21Pt3 -0.888 +391 Cu9Pt15 -1.775 +392 CuPt23 -0.224 +393 Cu18Pt6 -1.605 +394 Cu12Pt12 -2.095 +395 Cu15Pt9 -1.876 +396 Cu17Pt7 -1.744 +397 Cu22Pt2 -0.629 +398 Cu10Pt14 -1.600 +399 Cu5Pt19 -0.981 +400 Cu16Pt8 -1.745 +401 Cu6Pt18 -1.366 +402 CuPt23 -0.336 +403 Cu4Pt20 -0.804 +404 Cu6Pt18 -1.327 +405 Cu13Pt11 -0.655 +406 Cu18Pt6 -1.085 +407 Cu5Pt19 -1.330 +408 Cu20Pt4 -1.065 +409 Cu4Pt20 -1.113 +410 Cu20Pt4 -1.136 +411 Cu7Pt17 -1.086 +412 Cu20Pt4 -1.180 +413 Cu15Pt9 -1.900 +414 Cu20Pt4 -1.028 +415 Cu8Pt16 -1.733 +416 Cu14Pt10 -2.152 +417 Cu8Pt16 -0.786 +418 Cu11Pt13 -2.019 +419 Cu16Pt8 -1.691 +420 Cu17Pt7 -1.665 +421 Cu17Pt7 -1.754 +422 Cu14Pt10 -1.849 +423 Cu7Pt17 -1.505 +424 Cu3Pt21 -0.774 +425 Cu21Pt3 -0.971 +426 Cu7Pt17 -1.731 +427 Cu18Pt6 -1.402 +428 Cu9Pt15 -2.016 +429 Cu5Pt19 -1.215 +430 Cu4Pt20 -1.122 +431 Cu10Pt14 -1.336 +432 Cu23Pt -0.309 +433 Cu2Pt22 -0.623 +434 Cu14Pt10 -2.066 +435 Cu4Pt20 -1.138 +436 Cu14Pt10 -1.187 +437 Cu8Pt16 -1.791 +438 Cu7Pt17 -1.528 +439 Cu3Pt21 -0.742 +440 Cu11Pt13 -1.945 +441 Cu17Pt7 -1.748 +442 CuPt23 -0.224 +443 Cu9Pt15 -1.795 +444 Cu14Pt10 -0.642 +445 Cu5Pt19 -1.333 +446 Cu4Pt20 -0.757 +447 Cu20Pt4 -1.346 +448 Cu10Pt14 -1.688 +449 Cu3Pt21 -0.950 +450 Cu17Pt7 -1.606 +451 Cu20Pt4 -1.285 +452 Cu20Pt4 -1.275 +453 Cu23Pt -0.309 +454 Cu18Pt6 -1.371 +455 Cu12Pt12 -2.027 +456 Cu9Pt15 -1.895 +457 Cu8Pt16 -1.487 +458 Cu17Pt7 -1.810 +459 Cu10Pt14 -1.890 +460 Cu22Pt2 -0.560 +461 Cu11Pt13 -2.039 +462 Cu17Pt7 -1.852 +463 Cu13Pt11 -1.941 +464 Cu12Pt12 -1.580 +465 Cu8Pt16 -1.533 +466 Cu22Pt2 -0.753 +467 Cu12Pt12 -2.107 +468 Cu9Pt15 -1.726 +469 Cu19Pt5 -1.524 +470 Cu10Pt14 -1.667 +471 Cu20Pt4 -1.275 +472 Cu13Pt11 -2.012 +473 Cu17Pt7 -1.844 +474 Cu13Pt11 -1.935 +475 Cu10Pt14 -1.821 +476 Cu8Pt16 -1.571 +477 Cu17Pt7 -1.651 +478 Cu7Pt17 -1.616 +479 Cu11Pt13 -1.834 +480 Cu15Pt9 -0.897 +481 Cu2Pt22 -0.381 +482 Cu14Pt10 -1.616 +483 Cu16Pt8 -1.650 +484 Cu22Pt2 -0.683 +485 Cu14Pt10 -0.955 +486 Cu17Pt7 -1.467 +487 Cu23Pt -0.309 +488 Cu19Pt5 -1.584 +489 Cu18Pt6 -1.614 +490 Cu13Pt11 -2.061 +491 Cu9Pt15 -1.830 +492 Cu5Pt19 -1.152 +493 Cu7Pt17 -1.554 +494 Cu4Pt20 -0.790 +495 Cu14Pt10 -1.764 +496 Cu11Pt13 -1.267 +497 Cu18Pt6 -1.579 +498 Cu10Pt14 -1.737 +499 Cu8Pt16 -1.629 +500 Cu19Pt5 -1.584 +501 Cu11Pt13 -1.932 +502 Cu10Pt14 -1.874 +503 Cu3Pt21 -0.796 +504 Cu19Pt5 -1.444 +505 Cu20Pt4 -1.193 +506 Cu14Pt10 -2.116 +507 Cu21Pt3 -0.744 +508 Cu9Pt15 -2.016 +509 Cu13Pt11 -1.564 +510 Cu13Pt11 -2.026 +511 Cu13Pt11 -1.014 +512 Cu4Pt20 -0.990 +513 Cu6Pt18 -1.114 +514 Cu7Pt17 -1.311 +515 Cu15Pt9 -2.193 +516 Cu12Pt12 -2.132 +517 Cu6Pt18 -1.346 +518 Cu5Pt19 -1.312 +519 Cu10Pt14 -1.705 +520 Cu7Pt17 -1.320 +521 Cu15Pt9 -1.871 +522 Cu10Pt14 -1.864 Simplices: 12 ./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] 15:23:07 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 15:23:07 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 00:05:53 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 00:05:53 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 15:23:07 3.320051 0.1208 -BFGSLineSearch: 1[ 1] 15:23:07 3.316117 0.0474 +BFGSLineSearch: 0[ 0] 00:05:53 3.320051 0.1208 +BFGSLineSearch: 1[ 1] 00:05:53 3.316117 0.0474 Step Time Energy fmax -BFGS: 0 15:23:07 4.219952 3.520752 -BFGS: 1 15:23:07 3.937039 2.176459 -BFGS: 2 15:23:07 3.719814 0.435144 -BFGS: 3 15:23:07 3.709652 0.230130 -BFGS: 4 15:23:07 3.708879 0.244129 -BFGS: 5 15:23:07 3.706088 0.257744 -BFGS: 6 15:23:07 3.698532 0.213396 -BFGS: 7 15:23:07 3.692121 0.246181 -BFGS: 8 15:23:07 3.692274 0.187321 -BFGS: 9 15:23:07 3.693484 0.172736 -BFGS: 10 15:23:07 3.692659 0.151427 -BFGS: 11 15:23:08 3.690809 0.073608 -BFGS: 12 15:23:08 3.690202 0.070785 -BFGS: 13 15:23:08 3.690382 0.078195 -BFGS: 14 15:23:08 3.690426 0.103450 -BFGS: 15 15:23:08 3.689890 0.099762 -BFGS: 16 15:23:08 3.689029 0.054308 -BFGS: 17 15:23:08 3.688737 0.028916 +BFGS: 0 00:05:53 4.219952 3.520752 +BFGS: 1 00:05:53 3.937039 2.176459 +BFGS: 2 00:05:54 3.719814 0.435144 +BFGS: 3 00:05:54 3.709652 0.230130 +BFGS: 4 00:05:54 3.708879 0.244129 +BFGS: 5 00:05:54 3.706088 0.257744 +BFGS: 6 00:05:54 3.698532 0.213396 +BFGS: 7 00:05:54 3.692121 0.246181 +BFGS: 8 00:05:54 3.692274 0.187321 +BFGS: 9 00:05:54 3.693484 0.172736 +BFGS: 10 00:05:54 3.692659 0.151427 +BFGS: 11 00:05:54 3.690809 0.073608 +BFGS: 12 00:05:54 3.690202 0.070785 +BFGS: 13 00:05:54 3.690382 0.078195 +BFGS: 14 00:05:54 3.690426 0.103450 +BFGS: 15 00:05:54 3.689890 0.099762 +BFGS: 16 00:05:54 3.689029 0.054308 +BFGS: 17 00:05:54 3.688737 0.028916 Step Time Energy fmax -BFGS: 0 15:23:08 3.688737 0.028916 -BFGS: 1 15:23:08 3.688734 0.026509 -BFGS: 2 15:23:08 3.688730 0.023976 -BFGS: 3 15:23:08 3.688729 0.023898 -BFGS: 4 15:23:08 3.688718 0.012188 -BFGS: 5 15:23:08 3.688718 0.008625 -BFGS: 6 15:23:08 3.688718 0.009485 -BFGS: 7 15:23:08 3.688718 0.009737 -BFGS: 8 15:23:08 3.688716 0.009698 -BFGS: 9 15:23:08 3.688714 0.008666 -BFGS: 10 15:23:08 3.688714 0.006195 -BFGS: 11 15:23:08 3.688714 0.005328 -BFGS: 12 15:23:08 3.688714 0.005264 -BFGS: 13 15:23:09 3.688714 0.006633 -BFGS: 14 15:23:09 3.688715 0.008844 -BFGS: 15 15:23:09 3.688723 0.010877 -BFGS: 16 15:23:09 3.688733 0.015712 -BFGS: 17 15:23:09 3.688732 0.015288 -BFGS: 18 15:23:09 3.688722 0.010019 -BFGS: 19 15:23:09 3.688716 0.005032 -BFGS: 20 15:23:09 3.688716 0.003424 +BFGS: 0 00:05:54 3.688737 0.028916 +BFGS: 1 00:05:55 3.688734 0.026509 +BFGS: 2 00:05:55 3.688730 0.023976 +BFGS: 3 00:05:55 3.688729 0.023898 +BFGS: 4 00:05:55 3.688718 0.012188 +BFGS: 5 00:05:55 3.688718 0.008625 +BFGS: 6 00:05:55 3.688718 0.009485 +BFGS: 7 00:05:55 3.688718 0.009737 +BFGS: 8 00:05:55 3.688716 0.009698 +BFGS: 9 00:05:55 3.688714 0.008666 +BFGS: 10 00:05:55 3.688714 0.006195 +BFGS: 11 00:05:55 3.688714 0.005328 +BFGS: 12 00:05:55 3.688714 0.005264 +BFGS: 13 00:05:55 3.688714 0.006633 +BFGS: 14 00:05:55 3.688715 0.008844 +BFGS: 15 00:05:55 3.688723 0.010877 +BFGS: 16 00:05:55 3.688733 0.015712 +BFGS: 17 00:05:55 3.688732 0.015288 +BFGS: 18 00:05:55 3.688722 0.010019 +BFGS: 19 00:05:55 3.688716 0.005032 +BFGS: 20 00:05:55 3.688716 0.003424 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -8645,10 +8682,10 @@ 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)")) +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://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 @@ -9493,17 +9530,17 @@ dh_perl -O--buildsystem=pybuild dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild - 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/eu/LC_MESSAGES/ag.mo - 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/en_GB/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/fi/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/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/en_GB/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/gl/LC_MESSAGES/ag.mo + 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/eu/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/es/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -9521,12 +9558,14 @@ 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/2387482/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2387482/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/3643596 and its subdirectories -I: Current time: Thu Aug 29 15:26:07 -12 2024 -I: pbuilder-time-stamp: 1724988367 +I: removing directory /srv/workspace/pbuilder/2387482 and its subdirectories +I: Current time: Fri Oct 3 00:08:38 +14 2025 +I: pbuilder-time-stamp: 1759399718