32 Lattice="5.704064587289205 0.0 0.0 0.0 5.704064587289205 0.0 0.0 0.0 5.704064587289205" Properties=species:S:1:pos:R:3:forces:R:3 energy=8196.898918763845 stress="-178.32930577254092 0.4795394457878225 4.7153767823782475 0.4795394457878225 -178.4973876390386 -0.635375113481571 4.7153767823782475 -0.635375113481571 -181.1190464991212" free_energy=8196.898918763845 pbc="F F F" Kr 0.05479045 0.03847016 0.01375107 -684.04468504 -696.78286099 -810.81176307 Kr 1.46537527 1.45587653 0.01321178 -183.44165143 -310.42544866 -1375.86942456 Kr 1.38257671 0.01087424 1.47393577 727.90525692 -1548.81747292 -372.84434940 Kr 0.04520820 1.37780311 1.45691564 -1661.90018095 735.22336093 -651.75118918 Kr 2.86014451 0.05105250 0.05239896 -172.62168684 -1009.58992929 -940.28807975 Kr 4.28632104 1.43038733 0.02776612 713.06159670 154.80792317 -987.73395786 Kr 4.29698982 0.01573181 1.38685748 834.79843693 -969.06147750 282.63710148 Kr 2.80484057 1.41565318 1.51490884 621.75784004 -52.82307762 -508.66738527 Kr 0.00228310 2.85745767 0.04474096 -954.19037431 -149.54825117 -900.38201122 Kr 1.41134915 4.29017075 0.02136952 79.77651044 1011.90512042 -959.85249373 Kr 1.47939511 2.81421522 1.37337636 -586.82244470 660.53323641 807.19004164 Kr 0.01125561 4.31272878 1.39292485 -758.41095184 934.93711812 217.06173972 Kr 2.79964220 2.88848182 0.04918828 695.05974158 -178.08905534 -1559.38940085 Kr 4.28782152 4.22316253 0.00745346 629.97942224 791.30876449 -816.43055475 Kr 4.31802161 2.85629995 1.37462109 921.10373323 -143.11164088 612.16989742 Kr 2.88479592 4.29405594 1.44286813 -54.85165954 1088.39328987 235.78173173 Kr 0.01496948 0.04536921 2.79722544 -1284.73264040 -1384.79928626 697.25630813 Kr 1.37445185 1.45378105 2.82255915 324.23476973 74.65029974 751.20582192 Kr 1.41720428 0.00680224 4.28884933 -28.15131577 -850.39069117 836.39517979 Kr 0.01262364 1.39923804 4.27072051 -939.96116443 275.56465563 832.42636359 Kr 2.83512331 0.02809417 2.90387169 -6.49762150 -1584.85606292 -398.85512254 Kr 4.28418154 1.38313928 2.84664193 1416.77472170 302.44230075 -233.78238983 Kr 4.27752562 0.03243885 4.28710182 800.47307636 -834.99870003 728.98345964 Kr 2.89738303 1.39919185 4.23021990 -424.26520483 182.38524217 1645.31643935 Kr 0.01095308 2.89078993 2.76890816 -1147.07061174 -84.52516398 293.00797850 Kr 1.46227579 4.23574219 2.90709594 -289.42585531 1179.23959304 -605.52560873 Kr 1.47151296 2.84146329 4.31480286 -339.20098153 -263.33007625 1226.20704994 Kr 0.01479157 4.23977665 4.28422676 -624.26573121 530.88682157 594.09343807 Kr 2.84162390 2.79620338 2.90845384 380.10169048 430.15485364 -441.93105597 Kr 4.26763828 4.24222559 2.93663485 966.21048182 719.73219460 -264.94516481 Kr 4.32858851 2.79360286 4.32861324 725.41329757 95.65882056 787.46370139 Kr 2.82712364 4.28606992 4.24511753 303.20418562 893.32559988 1281.86369920