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=8146.215700177817 stress="-0.5331370759096898 0.00195401761634815 0.05454323039965928 0.00195401761634815 -0.5046656186438935 0.008620958714919184 0.05454323039965928 0.008620958714919184 -0.4909213197464705" free_energy=8146.215700177817 pbc="F F F" Xe 20.89476746 20.87993804 21.28095696 -1715.94364269 -2996.66588660 -3130.11470755 Xe 22.40706744 22.88508946 20.87675974 436.84675304 -1682.20909239 -544.07343640 Xe 22.44730465 21.28460712 22.37846517 3094.62922317 -872.84785210 1076.31856987 Xe 20.76772449 22.40215687 22.36514891 -1608.40298104 3702.15858519 1231.65675227 Xe 24.05451096 20.86064066 20.73603486 28.45003986 -41.24803497 -54.91229505 Xe 25.58440621 22.74393942 20.92997604 1120.44621524 -1058.02491022 -497.13837226 Xe 25.71385520 21.03926819 22.85510044 1857.99985116 -2268.05272901 -3604.29517214 Xe 24.34566688 22.80675791 22.78035300 -1300.08407551 -601.03477980 172.95782054 Xe 21.17828948 24.46182891 20.79301824 -2254.81439633 -257.36937442 -508.02912195 Xe 22.35741985 25.94755377 21.01129231 2080.78226237 2018.74627334 -1544.91353957 Xe 22.80739579 24.41911338 22.42954100 -2004.02197927 -805.71329243 1915.58701727 Xe 21.12365747 25.83088739 22.57797513 -1270.82884039 654.71657258 1109.96490840 Xe 24.09681875 24.11894099 21.04737131 1591.09834659 1152.39563607 -2312.16179109 Xe 25.87166398 25.93210472 20.82880730 10.34689286 12.22807519 -9.17156401 Xe 26.00437675 24.00818085 22.71619645 1010.71410988 1526.47817375 -438.51340164 Xe 24.04640878 26.08956242 22.90413633 2344.62395273 1388.34564005 -2050.21041802 Xe 20.85263676 21.18492541 24.08178173 -991.61079198 -1153.07117975 547.08440394 Xe 22.50823780 22.38692411 24.21490969 860.60933884 1462.72498562 -64.74730440 Xe 22.38688665 21.12263099 25.92030481 -11.53009851 -441.77904383 562.66239154 Xe 20.95206007 22.99050063 25.71500708 -209.68272319 -296.90566944 628.47910862 Xe 24.14901191 20.91812645 23.95122014 -2205.60606906 -788.72894012 1582.53637271 Xe 26.10712867 22.37794705 24.01067717 1132.39687015 1613.35052395 2479.24155101 Xe 25.77928848 21.10082718 25.81888515 1655.76311725 -1732.92349934 494.12287927 Xe 24.41186569 22.40853165 25.57572959 -1641.73568522 1699.99331624 49.51233926 Xe 20.80819399 24.25893822 23.99936541 -168.00443598 -85.21765218 -118.75194754 Xe 22.86839277 25.58656333 24.16738082 -3695.47561963 1924.53147215 -1123.06475746 Xe 22.77593924 24.39803915 25.63916454 -578.45045245 -3740.38859371 2695.32210554 Xe 21.18579680 25.64723126 25.89468740 -1024.78185732 821.66283800 222.04282537 Xe 24.51599513 24.42918122 24.49126606 279.60161464 -1559.50571143 -1419.19013330 Xe 26.03692607 25.87009235 24.42208778 603.62819979 1476.49020744 -846.98394527 Xe 26.06545800 24.36006419 25.80088762 1071.73542182 -942.95575635 1714.98683832 Xe 23.96223271 26.04879638 25.77911058 1501.30143918 1870.81969855 1783.79602371