32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=99489.18540252298 stress="-5.707921813338785 -0.06694939967478972 0.40321112098499107 -0.06694939967478972 -5.146079005725069 0.4873972707130396 0.40321112098499107 0.4873972707130396 -6.252880700152517" free_energy=99489.18540252298 pbc="F F F" Re 21.03043964 20.97489242 20.82983336 -2417.83541633 -581.17151808 -2971.72578728 Re 22.74451066 22.60294754 20.89302767 -30370.82592468 28570.35515720 -8171.15941063 Re 22.33245616 20.96352796 22.35963751 25586.30091294 -16440.95510809 -17495.96759563 Re 21.27303499 22.33490556 22.61607253 -9678.49714347 11280.68057024 -15095.26137926 Re 23.72836004 21.28940924 21.11375577 25188.00635835 -37028.03110599 -1320.45405176 Re 25.28535710 22.42011415 21.26298350 1791.72235382 19106.81722186 -21840.25780863 Re 25.69767523 21.14050210 22.29967076 8760.72614703 -25141.26298746 16573.57705323 Re 23.89193904 22.52460873 22.75615100 -13804.65977677 -4228.33743235 -16437.92161953 Re 20.85803298 24.15725469 20.92729195 -318.18862651 -1139.35875264 -1777.10002432 Re 22.91988534 25.44723237 20.98934725 -34121.15086490 169.46522465 -53360.05683001 Re 22.75567745 24.13268474 22.66245883 -19219.98041957 -5177.78006856 -13164.11685367 Re 20.77278331 25.41239330 22.57995713 -1715.20560908 3107.13502851 -875.17814251 Re 24.06678501 23.93551091 21.01967252 -6121.25596556 473.46280624 -17261.12519098 Re 25.69135554 25.28971062 21.16098132 6881.65608657 14786.71317009 -13443.89803752 Re 25.22149604 24.07376908 22.33296923 9890.54981486 -7623.11501192 29225.85874731 Re 23.72374466 25.61589277 22.37578324 37022.53943198 20258.01101318 50304.80457481 Re 21.27553719 20.86634506 23.70074396 -17956.74964875 -11572.07407842 27758.09385298 Re 22.29437302 22.75641112 24.43177633 -5086.50384716 -42901.72025290 -29577.26806541 Re 22.77277611 21.12780510 25.30267307 -55259.09860412 -12867.75232905 57318.68118868 Re 20.95644867 22.78017894 25.55539940 -30367.11567386 -12843.37533770 14492.22637340 Re 23.90803207 21.24172384 24.20831384 47577.37916578 -9148.89392526 -55120.66999274 Re 25.29661035 22.42993846 23.80647396 23963.67056981 4148.10587543 8952.96098242 Re 25.23014959 21.09877738 25.72562809 5091.36576475 -4746.60607791 3433.83903327 Re 24.13407087 22.66784405 25.42650869 -8769.97088111 -11355.97793479 20061.97020861 Re 20.89366987 23.68120365 23.69881869 -13541.07600551 17645.53862336 5783.59006943 Re 22.17492646 25.59370444 24.12922622 13230.96721675 2812.75389809 -18509.84146656 Re 22.29227645 23.92301038 25.64333184 14011.59295403 32358.90533283 29023.17835254 Re 21.17782474 25.53579634 25.54063018 -16396.90730756 2867.86495909 19356.44928558 Re 23.62499478 23.74955569 24.14033730 30051.29134881 33157.19718713 396.12755362 Re 25.70291874 25.43033862 24.51963155 870.68829680 2506.44056844 -1876.86693889 Re 25.53284601 23.73411369 25.60071126 14229.31296943 8717.37370875 4130.70504045 Re 23.72773569 25.67954599 25.56809329 997.25232328 829.59157606 1486.80687898