32 Lattice="5.704064985320829 0.0 0.0 0.0 5.704064985320829 0.0 0.0 0.0 5.704064985320829" Properties=species:S:1:pos:R:3:forces:R:3 energy=8196.885460888747 stress="-178.32911531633042 0.47953877009628076 4.715371248597294 0.47953877009628076 -178.49719707932437 -0.6353745319571643 4.715371248597294 -0.6353745319571643 -181.11885270061364" free_energy=8196.885460888747 pbc="F F F" Kr 0.05479045 0.03847016 0.01375107 -684.04404999 -696.78221256 -810.81099773 Kr 1.46537537 1.45587663 0.01321178 -183.44146456 -310.42512674 -1375.86813795 Kr 1.38257681 0.01087424 1.47393587 727.90449996 -1548.81600657 -372.84396358 Kr 0.04520820 1.37780322 1.45691574 -1661.89859523 735.22259235 -651.75050507 Kr 2.86014471 0.05105250 0.05239896 -172.62151133 -1009.58899292 -940.28721238 Kr 4.28632133 1.43038743 0.02776612 713.06095421 154.80776900 -987.73303779 Kr 4.29699011 0.01573181 1.38685758 834.79767131 -969.06057989 282.63681657 Kr 2.80484077 1.41565328 1.51490894 621.75721129 -52.82301462 -508.66687173 Kr 0.00228310 2.85745787 0.04474096 -954.18949433 -149.54810041 -900.38118526 Kr 1.41134925 4.29017105 0.02136952 79.77642930 1011.90418169 -959.85160566 Kr 1.47939520 2.81421542 1.37337646 -586.82182719 660.53256853 807.18919943 Kr 0.01125561 4.31272908 1.39292495 -758.41026057 934.93625324 217.06152229 Kr 2.79964240 2.88848202 0.04918828 695.05901432 -178.08888607 -1559.38791150 Kr 4.28782182 4.22316283 0.00745346 629.97884311 791.30801642 -816.42978073 Kr 4.31802191 2.85630015 1.37462119 921.10290694 -143.11149469 612.16928152 Kr 2.88479611 4.29405624 1.44286823 -54.85160576 1088.39229870 235.78149678 Kr 0.01496948 0.04536921 2.79722564 -1284.73140940 -1384.79795343 697.25557581 Kr 1.37445196 1.45378115 2.82255935 324.23443657 74.65021537 751.20505207 Kr 1.41720438 0.00680224 4.28884963 -28.15128830 -850.38991367 836.39441649 Kr 0.01262364 1.39923814 4.27072081 -939.96029719 275.56438255 832.42560199 Kr 2.83512351 0.02809416 2.90387189 -6.49761029 -1584.85456049 -398.85471532 Kr 4.28418184 1.38313938 2.84664213 1416.77339976 302.44199865 -233.78215163 Kr 4.27752591 0.03243885 4.28710212 800.47231988 -834.99790846 728.98277734 Kr 2.89738322 1.39919195 4.23022020 -424.26477542 182.38504953 1645.31486979 Kr 0.01095308 2.89079012 2.76890836 -1147.06956018 -84.52508258 293.00769273 Kr 1.46227589 4.23574249 2.90709613 -289.42555506 1179.23851151 -605.52499354 Kr 1.47151306 2.84146349 4.31480315 -339.20064385 -263.32981125 1226.20591601 Kr 0.01479157 4.23977694 4.28422706 -624.26515644 530.88634128 594.09289440 Kr 2.84162410 2.79620358 2.90845403 380.10131212 430.15441383 -441.93061205 Kr 4.26763858 4.24222589 2.93663505 966.20958515 719.73154881 -264.94489737 Kr 4.32858881 2.79360306 4.32861353 725.41264367 95.65872805 787.46298857 Kr 2.82712384 4.28607022 4.24511783 303.20387754 893.32477486 1281.86247748