64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=27020.56050790629 stress="-0.1341635705654136 -0.06596894947974725 -0.04117550952335012 -0.06596894947974725 -0.16637834201428942 -0.04362449909444128 -0.04117550952335012 -0.04362449909444128 -0.1640173791467817" pbc="F F F" Xe 34.80195003 34.57771811 34.95119316 -1896.59486572 -1954.31747158 -1400.89213969 Xe 35.94743347 35.75804458 35.79733406 1815.22919238 1842.79000809 1434.93476682 Xe 37.22384675 37.54114105 35.19461893 65.52613993 92.89352034 -54.68238847 Xe 38.89128637 38.85208938 36.43962069 1853.02917403 -2706.79832826 1048.97122743 Xe 37.58468352 34.70823595 37.85999405 -537.90419726 -648.08568652 -175.37177350 Xe 38.89892157 36.27705464 38.28803348 -1704.58228934 -1218.88091251 1111.33060723 Xe 34.79184354 37.78367211 37.80726884 -1964.93197978 -1960.88776897 -1305.16234173 Xe 35.75088437 38.74016364 38.44348377 2953.56033820 1159.19775528 221.15314979 Xe 40.12981240 34.64826753 35.09687989 -10.55833406 -19.48351446 -12.09044194 Xe 41.11467248 36.64216108 36.13359262 -1094.19522179 -1049.62173262 982.86745709 Xe 42.29927858 37.72307255 34.98000011 -685.22012545 -535.41149918 -2961.80519905 Xe 43.27299140 38.56438196 35.91888713 2105.62681080 983.62085639 703.39629093 Xe 42.05150503 34.89943914 37.37417182 24.16591155 -55.01171874 29.59450480 Xe 43.39695243 36.38520134 38.93747200 309.45746302 -957.77328317 -995.66073411 Xe 39.78667905 37.01434334 37.91611727 2132.65185932 1883.11801322 -791.82943404 Xe 41.50578277 38.50840992 39.17105182 -1004.76686917 467.98942722 -743.19043335 Xe 35.23107795 39.80577272 35.10041361 -286.77334503 -612.20842086 -674.05031966 Xe 35.84942824 41.14379108 36.56518533 1228.14250144 -1659.42746144 -1106.90977862 Xe 37.31455040 42.25557516 35.19270683 -1028.42448408 -1047.37436249 -962.60979970 Xe 38.53346884 43.47744208 36.18443433 812.48247783 1226.94266656 564.66872861 Xe 37.48200766 39.28315456 37.06667790 -2587.45322147 850.20701787 1123.71880546 Xe 38.36710489 40.96830049 38.92774002 -481.42242258 403.66870343 -772.81747525 Xe 35.46979233 41.97180186 37.24786448 -1091.02016772 2145.44882551 1782.07808897 Xe 36.69766822 43.56907851 38.32899055 -864.78708497 1724.29442341 -2356.32201758 Xe 39.36514380 39.91191895 35.18780396 768.30738201 1857.70225882 -2304.00844960 Xe 41.13747862 40.82545392 36.31750951 57.75021194 23.81738775 56.61146184 Xe 42.81550249 42.44420399 35.73892907 -1431.98093288 -2587.74556916 -664.90807975 Xe 43.56974452 43.79613563 36.07779633 1457.94231738 2612.76150354 654.48660641 Xe 42.90962949 39.56601338 37.65608989 -1929.36558396 -1320.79990244 -482.41062588 Xe 43.96470462 40.76298625 38.58251264 1755.77257657 1984.83785644 1535.06377802 Xe 39.91764139 42.88325221 37.74583276 -2045.27872466 -1122.51937449 -1384.37749783 Xe 41.13713315 43.40721267 38.63680523 1751.52146439 1645.96868307 947.86666907 Xe 35.45473000 35.22043528 39.89809534 -1665.49509734 -1855.50962598 -1783.63196782 Xe 36.38171361 36.25381990 40.89294038 408.94916895 -733.50243758 2521.49074845 Xe 37.20631720 37.66815114 40.13254407 698.82303127 2018.77382734 -1893.42841042 Xe 38.65991824 38.43507779 41.39109065 -788.38181232 65.44864037 -268.17441220 Xe 37.53672586 34.99972677 42.31586689 -1464.57772636 -1061.85980783 -2267.50536539 Xe 38.47271949 35.52726621 43.73934404 1605.24859776 901.86054670 2446.26588786 Xe 35.32388855 37.49781918 42.27486798 -320.97485072 235.61733964 276.13204089 Xe 35.75173560 39.06814352 43.85634039 -238.25674771 -151.00161252 302.70729264 Xe 40.36842997 35.27062232 40.32242359 -577.26630751 -1898.14785479 -1593.94373025 Xe 40.79383404 36.68698606 41.50900551 619.20363485 1849.20421538 1481.10515611 Xe 42.96697600 37.75490080 40.36540148 -904.46884644 -1048.98543048 412.98068869 Xe 44.14694032 38.88476930 41.39540330 1618.91670851 1488.58102475 1349.19066234 Xe 42.09069839 34.80209310 42.05918851 39.90662875 -48.81596058 22.55704737 Xe 43.99810484 35.80591415 44.19894990 1.42989173 0.53875137 1.64355397 Xe 39.59829128 37.94775631 42.96667680 888.24440968 -419.44926386 1729.77143100 Xe 41.72661173 39.04292364 44.09699718 -1111.72237009 -1340.61629744 2522.78834276 Xe 34.50905976 39.60696437 39.73807910 -1107.99798133 775.61621340 1156.00941065 Xe 36.74569653 41.20381834 41.49170572 -376.09964157 1244.41291287 -2759.75411346 Xe 37.18717708 42.70313122 39.60690137 753.90930807 -1371.57514679 2498.59725725 Xe 39.48895869 43.94891592 40.41500744 -8.81001503 10.38166727 14.04528903 Xe 37.14004507 40.39786233 42.83129035 -964.39517805 -3463.47156223 1530.94197414 Xe 38.30415239 41.68399638 43.31341300 1803.20534164 2111.30118837 885.71489610 Xe 35.12876493 42.31129485 42.38241592 -779.04169980 -1832.33748226 -924.81140663 Xe 35.43468261 43.99728644 43.29658368 381.52741866 2105.22397772 1141.48798835 Xe 39.53680825 39.79461964 40.14050205 1166.31327907 153.97529461 -78.39008975 Xe 40.91940571 41.24705666 41.59140490 858.03348137 -2060.23084600 -1978.61078367 Xe 42.19785551 42.25973021 39.96842060 648.36091586 -599.37284390 680.47432280 Xe 44.13864758 44.09740818 41.45198754 1.75362347 1.57812091 0.52412019 Xe 42.37501571 39.82230587 42.63196207 633.93659332 402.61610977 -3061.72676054 Xe 43.25585759 41.33055923 43.70054841 522.81542869 885.67900588 628.16090858 Xe 40.31833345 42.53776017 42.82181618 -2292.22467534 921.21807840 715.41603527 Xe 41.58108167 43.59508615 43.86457661 1503.22951715 1263.93735742 1244.32877297