32 Lattice="12.031381544461585 0.0 0.0 0.0 12.031381544461585 0.0 0.0 0.0 12.031381544461585" Properties=species:S:1:pos:R:3:forces:R:3 energy=-24.796046803350546 stress="-0.0002973661278211075 6.568052254481629e-05 -0.00013219812748044415 6.568052254481629e-05 -0.0003323099823838429 -1.3883680992630853e-05 -0.00013219812748044415 -1.3883680992630853e-05 -0.00044186571321678224" free_energy=-24.796046803350546 pbc="F F F" Ca 0.01695208 0.08168184 0.02451060 -0.03568288 -0.04107818 -0.05405165 Ca 3.02831105 3.03500277 0.01867456 0.12276142 0.09538640 -0.07901335 Ca 2.97509758 0.00873401 2.99960070 0.16408594 -0.07161904 0.13263987 Ca 0.00117433 3.00525417 2.99423521 -0.05910241 0.13312662 0.15877540 Ca 6.05683575 0.01589755 0.00178497 -0.11642081 -0.04367212 -0.02995847 Ca 9.06103335 2.98677720 0.05845788 0.05727464 0.08551375 -0.06085959 Ca 9.01583733 0.00530706 3.06157445 0.05667071 -0.07624847 0.04113762 Ca 5.98645698 3.03278151 3.00182714 -0.14075492 0.12144445 0.18762796 Ca 0.05407410 6.02086739 0.01731446 -0.07703688 -0.07540586 -0.07698746 Ca 3.05381341 9.05981305 0.03297659 0.08671206 0.03969260 -0.06436165 Ca 2.95705647 6.06454018 2.99666164 0.25323834 -0.21612717 0.17801574 Ca 0.02456759 9.02909336 3.03045997 -0.07508446 0.07427855 0.08407398 Ca 6.04878986 5.97996404 0.03059476 -0.11918778 -0.06002492 -0.07213196 Ca 9.05705049 9.04949228 0.04227618 0.02023824 0.00058097 -0.03290834 Ca 9.07565661 5.99234382 2.98910268 0.04083908 -0.09334633 0.15614290 Ca 6.07364323 9.06730992 2.96516024 -0.15246000 0.01897381 0.16710776 Ca 0.02033525 0.05210455 6.06692306 -0.09884504 -0.09803465 -0.16213056 Ca 3.01908093 2.94956784 6.06497192 0.16906047 0.23307794 -0.26629414 Ca 2.98102272 0.02607065 8.99117554 0.15570959 -0.08642528 0.10028431 Ca 0.00197857 3.00345655 8.97865547 -0.06956093 0.14508328 0.10516364 Ca 6.05343650 0.00474465 5.99706869 -0.19053435 -0.07389077 -0.12156400 Ca 9.07517827 2.95344118 5.97588612 0.04271729 0.22810748 -0.07092726 Ca 8.96400550 0.02621732 8.98061100 0.05155684 -0.04800843 0.05190872 Ca 6.04497838 3.01680303 9.00425407 -0.11367890 0.11448079 0.06492983 Ca 0.03366766 5.98581143 5.99155090 -0.07701626 -0.08427975 -0.06643126 Ca 3.03101844 8.98674575 6.01650118 0.12412743 0.09948215 -0.13144885 Ca 3.06089971 6.00271292 8.98572333 0.06751771 -0.11444522 0.09498336 Ca 0.07533007 9.07120607 9.06250681 -0.00068905 -0.02291062 -0.01390805 Ca 5.98500166 5.98624173 5.98090648 -0.06769485 -0.12596769 -0.16590946 Ca 9.01725729 9.01415834 5.99445436 0.03513314 0.03062118 -0.08748188 Ca 8.99633132 6.06988926 9.05202427 0.03752518 -0.13268209 0.00329669 Ca 6.00884840 9.05618307 9.02414055 -0.09141858 0.04431661 0.03028017