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=162338.3403415828 stress="-1.7799806984376083 -0.5193791934591205 -0.5289063386880747 -0.5193791934591205 -2.192073463203153 -0.3163283935647625 -0.5289063386880747 -0.3163283935647625 -1.9390799107023804" pbc="F F F" Sg 35.71419023 34.63700835 34.95688108 -34.07519427 -157.93333438 -90.11927163 Sg 36.19979157 36.64375463 36.13407159 -184.15265630 2.66957180 263.86950752 Sg 37.81735773 37.87760207 35.07099750 -12.29533104 117.04311853 -612.37957505 Sg 38.86499275 38.13699700 37.01244907 -13967.81470106 7908.64329047 -1303.13164915 Sg 37.56164412 34.87758859 37.99049880 -1194.16146300 -1255.75979127 -1182.19695537 Sg 38.70504111 36.09572329 39.12247132 581.00513743 1845.46756539 719.65165736 Sg 34.79901541 38.08252237 38.35751850 -32944.23041028 -10552.58078804 -1183.77846915 Sg 36.35940230 38.58298632 38.41248464 25549.66342919 19712.07312327 -15204.57558066 Sg 40.29837255 35.52331847 35.24909483 -35581.20628079 -121747.57020659 -33511.49004455 Sg 40.70021162 36.89841477 35.62751291 34367.03821564 110511.67188474 8809.59465459 Sg 42.10370660 37.62459194 34.75498264 7474.40977937 3874.18938988 -4639.96447234 Sg 43.39859708 39.24440156 36.55852114 35678.48659332 -15190.75048424 -28110.44420601 Sg 42.99382289 35.14683037 36.56226290 -31.10081113 4.95473908 -31.07001831 Sg 44.04273385 36.08738736 38.76154173 39.54117804 0.79222148 16.77660224 Sg 40.36542286 37.29170062 37.19854288 7636.54367850 -1310.67976765 30704.14933440 Sg 41.73404251 38.55473524 38.25749964 -36827.52015226 -88449.70310916 54966.14634233 Sg 35.24093207 39.55912763 35.10194334 -1091.92582548 -2016.99575226 -1662.26612981 Sg 36.01000289 40.95600126 36.26765815 -1312.95579485 3826.90933246 325.96596333 Sg 37.25078450 42.99336978 34.78136343 -754.90802383 -667.54785690 -860.45304588 Sg 38.44043709 44.03278764 36.14407041 750.70912910 654.10949377 874.43454521 Sg 37.43216566 39.88516311 37.06940919 2579.31309815 -1003.12401523 873.19218998 Sg 38.72756378 41.38123127 39.43409750 8861.52964988 -4811.20782485 -3935.67537529 Sg 34.71179429 43.31290389 37.41357107 -29.47205333 -14.88237161 -22.71699175 Sg 36.90529049 43.64250358 38.72187007 -443.34797229 2032.27772536 -1806.35814773 Sg 39.83378158 40.46606560 35.04106637 -353.92596770 -147.02798384 -269.71957487 Sg 41.48432067 41.10812762 36.41341497 -1677.09232194 3781.66077578 -3085.71057123 Sg 42.71456048 42.82239888 34.92642290 -20005.13401572 -8690.15015783 -17959.24333602 Sg 43.89387760 43.33569148 35.98356593 20005.95528084 8701.52462483 17955.78582222 Sg 42.20711389 39.75316520 37.49730892 2361.04829363 102799.59103338 -28318.45688371 Sg 43.22051084 41.20120287 38.56399712 39604.32584758 -30207.37455884 -51451.05271336 Sg 40.65155737 42.94626168 37.41499278 -4854.94261967 -2041.18349512 -13434.29959350 Sg 41.21450091 43.23050117 39.04688471 1314.41834847 5506.61059781 11677.29703986 Sg 34.69056866 34.85424420 40.78934000 -13.49788477 -9.54713293 -1.37906348 Sg 36.67416363 36.58898919 40.79955193 -9582.72386544 -43632.83194881 36433.38176964 Sg 36.93676704 37.78251933 39.80239269 16592.69866238 34008.15086547 -19597.31398418 Sg 39.08973639 38.44351533 41.39822936 -84033.68147600 88487.31881131 -62359.97392890 Sg 37.82011822 35.69160955 42.99381864 -795.50924408 -335.32092824 -515.52327856 Sg 39.49841140 36.40453619 44.08481680 764.02203861 242.20821637 718.53183186 Sg 35.40909505 37.93555235 42.62848321 -151170.21673541 -127778.58786882 -119433.85207243 Sg 36.33687525 38.71992669 43.36173551 124193.89470989 105257.36181418 139909.10960259 Sg 40.13958871 34.83303368 40.05753002 559.72825971 -675.03585825 307.99902660 Sg 41.50965451 35.96187914 41.62425972 -16465.27938953 11693.72860171 -8590.82841828 Sg 41.98008008 37.33787717 39.66217170 724.66389250 -3654.08428638 4253.07237032 Sg 43.91624393 38.99360437 40.90522674 665.84441446 -774.05651767 -405.37768658 Sg 42.78284653 35.05572605 42.27597000 16941.18938934 -12163.67060448 8630.02260590 Sg 43.78722527 36.82898384 43.65620829 31.02840114 86.61538070 50.63568687 Sg 39.99611575 37.48959717 42.06841603 83794.30061998 -88062.25163755 62147.82146061 Sg 41.41330831 38.71705146 43.98252830 4.87915954 8.76715809 -7.33419244 Sg 35.63278563 40.49531016 39.91819775 -16229.19667770 -27435.94074646 -38191.26725437 Sg 36.14916850 41.37296679 41.14632368 9204.25354487 21474.13942630 45439.76385922 Sg 37.25443745 42.19325962 40.02185132 -1444.25501491 8803.35165150 -1868.30188999 Sg 39.45128096 43.82137541 41.29352045 -178.34391063 291.67786876 -356.13851709 Sg 37.41077779 39.61690612 42.54589484 26472.49169496 22326.25282685 -20494.40410889 Sg 39.10467139 40.94525794 43.14688864 -2727.62387105 -3704.33257624 960.03652198 Sg 34.53309445 42.62517574 41.91567955 -1040.56959815 -17.56135435 -106.00185529 Sg 36.08504476 43.78827206 42.89023666 549.52600536 395.12347549 329.05553067 Sg 40.48438248 40.18914787 39.89275606 -65931.04699825 -87800.55577699 -120558.57585484 Sg 41.07811887 40.96947403 40.97081685 53132.45425206 90509.56762357 116235.44506594 Sg 42.38656383 41.87261325 39.68558234 -35026.08527416 28002.21203417 52331.91315043 Sg 42.85933826 43.85681701 40.35078382 682.53557130 998.23982667 673.60979357 Sg 42.61270603 40.47347007 41.66325760 11553.32306998 -3260.81296661 5988.99681287 Sg 43.39578995 40.75955402 44.10129906 5.86340145 7.93519985 34.24104981 Sg 40.25067551 42.41712952 42.83362766 2868.73365047 3462.36238223 -672.54143563 Sg 41.96561965 43.48607749 43.77454988 392.87313790 233.86005034 203.41634840