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=53085.62160498112 stress="-1.0823003556988298 -0.32533594411319877 -0.1925036126390997 -0.32533594411319877 -0.43779612899589215 -0.21025189436543093 -0.1925036126390997 -0.21025189436543093 -0.38993459627101984" pbc="F F F" I 34.98420260 35.05973675 35.13109798 -6006.94090509 -5658.09569056 -4289.30731218 I 36.00991883 36.02582133 35.86346237 3872.62929460 4764.31476389 5211.98772212 I 37.51234224 36.65687627 35.21666279 2118.73359812 910.65920662 -917.03726566 I 39.20428740 38.38707514 36.48187461 -4967.71574649 7588.70892679 -7331.36258099 I 37.91220097 35.11910829 37.62731523 -481.05896434 -289.10581161 -333.33885875 I 39.33656095 35.98427197 38.60988015 -4202.06747070 7418.07988981 -6798.22231327 I 34.67004764 38.12050095 37.51599380 -37.05151206 -27.95774547 -20.26465292 I 36.42177480 39.23681175 38.50398476 -1016.20141284 -738.02632030 878.94897761 I 39.50849239 35.29321910 35.21916703 -1093.37469148 -1638.12874460 -420.36814600 I 40.49035472 36.73125830 35.59427850 1212.35825355 1505.53622856 186.89356419 I 42.69322197 37.85452914 34.91544987 -6351.53363636 -5142.13474508 -14238.62310931 I 43.28196457 38.33119223 36.23445352 6360.73257119 5129.41177440 14228.35816435 I 43.08719567 34.93309325 37.52860045 -128362.34728700 -71491.71499492 -64839.10919587 I 44.10870438 35.50205895 38.04460328 128357.69017186 71497.01069970 64839.94421547 I 39.86637776 37.37422101 37.46835416 5127.17728549 -6757.95235968 6944.78232604 I 41.23902080 38.75093897 38.78298481 -267.22005869 -314.94815590 260.48606246 I 34.86373961 39.89168042 35.56313470 -184.07105402 -150.81095030 -106.98005236 I 36.32360741 41.09061228 36.39509653 -109.66269695 280.10741836 -42.67737531 I 36.99979160 42.21736558 34.65180865 -7.64924047 32.20233231 -119.63838535 I 38.71906794 43.23123714 35.76238165 29.10562613 43.34919333 -3.83764157 I 37.66110644 40.09717844 37.49696117 1353.88418560 546.20831154 -639.53427613 I 39.23970958 41.06269026 39.63634280 -53.58752289 17.60148935 4.12713636 I 34.96135381 42.76053880 37.38175947 -10630.79032192 -13665.30200027 -12382.98749453 I 35.70455473 43.71873634 38.24974703 10615.62483722 13682.18256302 12395.59819971 I 39.61636777 40.35611548 34.87936530 -5.12805542 2.66990528 -3.46172574 I 41.25249526 41.80404426 36.23055872 12.56022842 -63.96967983 17.50879972 I 42.53777879 42.77840345 34.77662681 73.79921020 55.71661706 -84.68617989 I 43.29924328 44.09574671 37.04321992 9.90446232 -2.44190468 -8.12060801 I 42.33891002 39.99024539 37.73100419 285.17463784 343.65619680 -276.20485663 I 43.80728898 41.51649437 39.09118518 59.35868577 -53.35020149 -46.52888589 I 39.57668493 42.09777144 37.60818350 -61.84326749 15.83950452 60.16634381 I 41.50951680 44.05713702 38.74766226 -65.66393422 57.36746023 -69.61360585 I 34.73164759 34.87485535 39.83620477 3.00638175 2.87379789 1.35992720 I 36.54669148 36.75298873 41.96619017 122850.58275056 -16824.14064584 -48669.47797555 I 37.59209539 37.10974148 40.01326989 28.88738238 14.11591155 -65.09557895 I 38.23155150 38.85917431 41.80440930 491.43987223 -1809.58157272 -2473.67318010 I 36.74293718 35.20911495 42.79635811 231.48897189 -2134.57905373 1053.94640048 I 38.24722931 36.59402345 43.60664300 -1917.57023718 -1864.06350161 1530.76383895 I 35.34969330 36.93595975 42.42909392 -123210.82566171 18881.59253006 47613.17424281 I 36.52490577 38.72785578 43.88862876 -269.99246652 -298.17193029 222.63422946 I 39.91501116 34.95184603 39.62445859 4189.17882307 -8022.97173618 7452.15442990 I 41.05013952 35.74545644 41.07816088 -22.80893681 -85.25663365 281.31453595 I 42.10405882 37.44178178 40.65505571 -233.20117397 122.13779903 -53.67671079 I 44.00918537 38.04572904 40.67601941 394.25896914 126.48215918 5.04378870 I 42.74690835 35.46753686 42.44860817 -724.04918882 -748.23130251 -1025.29474304 I 43.69490173 36.33526601 43.73303856 802.85607622 738.80768722 1088.05940214 I 39.34695346 37.64847042 42.80259556 1810.93445670 1195.78654090 -1353.95771609 I 40.97502044 38.43540883 43.45483228 604.51329882 292.97348187 237.68414672 I 35.02892947 40.40237162 40.03122029 -323.79079807 -214.59663550 -202.76848252 I 36.40823166 41.43603685 41.02517537 156.95981804 -162.75607733 335.09477804 I 37.13951733 43.20743104 40.47994110 -16928.23219449 -3788.53283256 -11589.45162255 I 38.35428968 43.50400846 41.29542627 17090.14557958 4167.06778199 11473.10948681 I 37.69562736 40.02343492 42.94755781 -27092.60168414 -35009.05690086 -9314.31703773 I 38.47850578 41.13898497 43.28276916 25679.52919419 37229.21283836 11468.76019714 I 34.94165520 42.91766127 42.49206370 -133.42233535 -92.72205015 -116.79494859 I 36.31114771 43.92014012 43.73538917 133.71182959 93.91834916 116.26136419 I 40.04866565 39.24329203 40.73692550 132.44323952 -12.73551094 -13.13993834 I 41.13881612 41.81930540 40.88638877 -868.97850784 -726.29676207 304.06387560 I 42.52439022 42.87016948 40.27699916 -1532.05078512 -336.36148765 -1656.43769196 I 43.94262235 43.47425386 41.05775871 2482.77421363 1056.60823352 1369.15145845 I 43.10220943 40.05021788 42.65342378 -5890.38265610 -6499.97447658 -4405.18918156 I 44.05111880 41.09798031 43.36284153 5884.19626176 6501.65464482 4398.79669800 I 40.15621999 41.92174405 42.79528505 508.50400784 235.55230924 -118.68677782 I 41.62695348 43.23440880 43.70378644 87.67022932 74.56186849 49.69179543