32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=66863.06285467918 stress="-193921.56220222422 -31873.56699219335 22545.525199095777 -31873.56699219335 -338962.21731870825 -151914.83975827636 22545.525199095777 -151914.83975827636 -289312.99861038936" pbc="F F F" Cf 0.23655039 0.29310723 -0.29978710 -13879.06100657 -12421.36596582 -4264.36467590 Cf 1.44893383 1.39458744 0.04603283 11331.89572656 13578.22677750 -2428.38158309 Cf 1.63987172 0.29267106 1.59775004 -23432.78952633 -25567.59688775 -25084.79366948 Cf 0.00899531 1.74809400 1.49121094 -3126.82909716 7.12378283 469.86372388 Cf 2.42614951 -0.28658495 0.20092125 7614.05989112 -8778.87005915 -13032.81215759 Cf 4.56629666 1.50620320 0.07511189 2197.21635494 -1460.01027030 -5796.70994788 Cf 4.71739406 -0.07044797 1.27382637 993.25983843 -2093.56953192 1061.98807845 Cf 3.06070078 1.25806373 1.28096780 8811.35755453 6841.62327592 62.58225117 Cf 0.12126571 3.16384271 -0.16860011 -5918.31006654 -7077.95104076 -6586.14859115 Cf 1.43142472 4.39376842 0.10550503 18793.85283011 9752.95784311 -24003.70697751 Cf 1.74061681 2.85948240 1.27001037 -9254.24849413 -3772.44770269 11256.91055733 Cf 0.33148114 4.24405101 1.28743861 -20957.48809822 2298.77148324 23870.80571015 Cf 3.01610053 3.14477582 0.16263860 9280.29425530 -9720.87963554 -20021.20198671 Cf 4.59062458 4.39244273 0.18218507 2932.01087593 3093.33963330 -2579.18147143 Cf 4.53441787 2.85694205 1.37165362 3602.59755343 576.18875081 4398.07580405 Cf 2.90532659 4.44963901 1.25611361 1697.59932845 15258.28257723 9857.40187134 Cf -0.04537275 -0.05037924 2.97389961 -2493.20147329 -1095.10119897 -1427.48896177 Cf 1.54396072 1.32028069 2.78999674 -3151.65848787 28534.07610712 31645.87157455 Cf 1.16414843 0.03661792 4.51956047 4273.34440673 -5226.23899894 1912.38993278 Cf 0.15702957 1.55781035 4.64765586 -15332.26163293 -8535.22921074 1409.60100941 Cf 2.83905368 -0.14415974 2.70815779 12555.74221476 -7827.68557917 11023.72005061 Cf 4.68022595 1.60499341 3.27695358 5843.48083270 -4679.29711565 -23479.49689143 Cf 4.53243132 0.19702018 4.23709480 11684.19117005 -20958.65944009 7578.85407779 Cf 3.16683143 1.20129931 4.29343008 -15847.66787292 8656.35785794 3947.91660941 Cf -0.15445683 3.36346565 3.28550806 -9006.75174534 -113192.49652675 -94048.76779135 Cf 1.43226684 4.68080795 2.91738139 1916.07104340 1612.59038376 -209.95019451 Cf 1.28039241 2.80535610 4.60382091 13232.43400484 12566.16260768 846.18893233 Cf -0.08595773 4.46438229 4.19519803 5295.50441704 113407.50217469 94614.50218324 Cf 3.15456851 3.27211296 2.74345531 -5854.11328057 -8341.81586799 2295.82938350 Cf 4.24849632 4.63276769 3.04000172 6964.82921884 7462.59567070 196.72759388 Cf 4.62204605 2.89978167 4.30646081 63.50817290 16696.45128441 14264.97341761 Cf 2.87975187 4.62790275 4.48891020 -828.86890819 406.96482200 2248.80213833