32 Lattice="5.704064440448747 0.0 0.0 0.0 5.704064440448747 0.0 0.0 0.0 5.704064440448747" Properties=species:S:1:pos:R:3:forces:R:3 energy=8060.779674620298 stress="-176.05241247780899 -3.701527141462455 2.951017828855659 -3.701527141462455 -176.1986485679335 2.1134368062553253 2.951017828855659 2.1134368062553253 -176.84101919901764" free_energy=8060.779674620298 pbc="F F F" Kr 0.00992877 0.01808863 0.05404022 -929.73826829 -893.49660254 -717.07934495 Kr 1.35516794 1.40029443 0.02199160 417.29253358 240.49892203 -1588.44129649 Kr 1.47129154 0.01576173 1.36901940 -434.35159938 -1488.18880753 378.95605644 Kr 0.00496824 1.46785891 1.40686047 -1507.12684602 -234.07792372 339.68522838 Kr 2.90091051 0.04474775 0.01591347 -314.37693560 -1168.53992046 -1153.65440458 Kr 4.25527345 1.38084271 0.02639364 1155.60875745 497.59960769 -919.32028701 Kr 4.25271591 0.04565901 1.45491089 1112.73292134 -1242.37376397 -49.34390998 Kr 2.79841133 1.40851431 1.45034197 479.14798108 434.67154918 -227.23059421 Kr 0.01052885 2.88477110 0.02469928 -996.98962653 -118.30012842 -1201.68115096 Kr 1.39882372 4.31460317 0.00709410 318.91978387 807.02618429 -992.15648561 Kr 1.42449431 2.83091657 1.41367390 -105.11598307 486.52311941 3.93329450 Kr 0.01964770 4.26845136 1.37815710 -1053.90916846 963.73364818 430.79009114 Kr 2.80499929 2.78950346 0.04913840 132.40330813 308.25794055 -1336.93516330 Kr 4.23412058 4.25995327 0.03656511 482.04868525 773.53677419 -821.71817915 Kr 4.27555458 2.90504419 1.39468546 1000.00861234 -341.27041436 283.22899746 Kr 2.79675720 4.33189268 1.46588645 185.84350388 1016.45819659 -189.73699502 Kr 0.04685218 0.00060903 2.88372156 -1032.20124012 -956.83263503 -549.22042109 Kr 1.38351039 1.47813145 2.81531996 303.43326119 -616.02305188 311.30166436 Kr 1.38628375 0.00424507 4.26198863 593.75986669 -950.22290617 983.61570393 Kr 0.03906760 1.38625353 4.27280864 -1154.74902680 275.62224925 1082.19008474 Kr 2.82071220 0.04656211 2.79905374 74.58698632 -1248.95605568 776.99673147 Kr 4.31669168 1.42750189 2.80735709 953.00289523 139.37732884 247.79684944 Kr 4.31235045 0.00172492 4.31520257 323.46625494 -380.70623531 352.59059320 Kr 2.83324765 1.47859704 4.29906840 274.57226946 -642.34324881 897.05409359 Kr 0.04709347 2.84005520 2.89497011 -1471.91276177 366.28738761 -59.14398106 Kr 1.39602017 4.29928128 2.84237971 98.16109719 1018.50602276 233.96696501 Kr 1.46054716 2.80407440 4.31688490 -279.16187247 628.10021906 1135.51355426 Kr 0.00788773 4.33310613 4.26483791 -508.26384036 454.55901981 605.97876262 Kr 2.80953472 2.83670504 2.81732353 317.41891202 224.88769486 242.97163630 Kr 4.24418214 4.24487538 2.89871548 968.37640597 935.70903470 -245.09270163 Kr 4.29473334 2.80379041 4.24286305 841.04907563 79.03615033 919.44362784 Kr 2.88590809 4.30995527 4.29784939 -243.93594268 630.94064456 824.74098034