32 Lattice="5.705931664384206 0.0 0.0 0.0 5.705931664384206 0.0 0.0 0.0 5.705931664384206" Properties=species:S:1:pos:R:3:forces:R:3 energy=8028.773150689068 stress="-175.18507748388188 -3.6833538727378046 2.936534165276767 -3.6833538727378046 -175.33058334336974 2.103069766427179 2.936534165276767 2.103069766427179 -175.9698020034119" free_energy=8028.773150689068 pbc="F F F" Kr 0.00993202 0.01809455 0.05405791 -925.76797671 -889.68058975 -714.01521984 Kr 1.35561155 1.40075282 0.02199879 415.51776198 239.47693476 -1581.65608804 Kr 1.47177317 0.01576689 1.36946755 -432.50026745 -1481.83081512 377.34390777 Kr 0.00496986 1.46833942 1.40732100 -1500.68773640 -233.07926325 338.23984526 Kr 2.90186013 0.04476240 0.01591868 -313.04018108 -1163.54870994 -1148.72539869 Kr 4.25666641 1.38129473 0.02640228 1150.67237847 495.48197308 -915.38997944 Kr 4.25410804 0.04567396 1.45538716 1107.97848012 -1237.06762071 -49.13306247 Kr 2.79932739 1.40897538 1.45081674 477.10545911 432.82233925 -226.26193259 Kr 0.01053229 2.88571543 0.02470736 -992.72834441 -117.79800310 -1196.54823160 Kr 1.39928162 4.31601556 0.00709642 317.56228521 803.57413630 -987.91586468 Kr 1.42496062 2.83184327 1.41413667 -104.66705112 484.44888695 3.91878562 Kr 0.01965413 4.26984863 1.37860824 -1049.40544916 959.61459098 428.95665990 Kr 2.80591751 2.79041661 0.04915449 131.83799100 306.94331597 -1331.22190711 Kr 4.23550662 4.26134776 0.03657708 479.98564058 770.23241235 -818.20827859 Kr 4.27695418 2.90599516 1.39514201 995.73011238 -339.81925956 282.02503526 Kr 2.79767272 4.33331073 1.46636631 185.05039148 1012.10901115 -188.92746514 Kr 0.04686751 0.00060923 2.88466555 -1027.79078152 -952.74235948 -546.88234871 Kr 1.38396328 1.47861532 2.81624156 302.14367467 -613.39824781 309.97405810 Kr 1.38673755 0.00424646 4.26338379 591.23197870 -946.16105972 979.41215755 Kr 0.03908039 1.38670732 4.27420735 -1149.81596191 274.44991532 1077.56594115 Kr 2.82163556 0.04657735 2.79997001 74.26745714 -1243.61779308 773.68496575 Kr 4.31810475 1.42796919 2.80827608 948.92434724 138.78553584 246.73990151 Kr 4.31376209 0.00172548 4.31661515 322.07953912 -379.07511740 351.07937829 Kr 2.83417512 1.47908106 4.30047570 273.40124614 -639.60571401 893.21422343 Kr 0.04710888 2.84098489 2.89591778 -1465.62461530 364.72575204 -58.89432920 Kr 1.39647716 4.30068865 2.84331016 97.74464791 1014.14875918 232.96827850 Kr 1.46102527 2.80499232 4.31829803 -277.97197797 625.42317995 1130.65721267 Kr 0.00789031 4.33452457 4.26623400 -506.08936462 452.61307739 603.38792170 Kr 2.81045442 2.83763363 2.81824578 316.06499002 223.92794259 241.93500023 Kr 4.24557147 4.24626494 2.89966437 964.23739465 931.70930314 -244.05048956 Kr 4.29613922 2.80470823 4.24425195 837.45213701 78.69851361 915.51332500 Kr 2.88685279 4.31136614 4.29925629 -242.89820531 628.23897308 821.21399798