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=62237.94198190251 stress="-3.9092065881661373 -0.02533314783826339 0.06502630369033711 -0.02533314783826339 -3.937969509349444 0.036260861675818254 0.06502630369033711 0.036260861675818254 -3.893713736063938" pbc="F F F" Tb 20.85540510 21.11115480 21.11044915 -2477.63844947 -2313.81105924 -2297.37174447 Tb 22.70960170 22.31143450 20.83833517 -2822.81627922 -4462.61620661 -9265.81964856 Tb 22.28829595 20.83509776 22.64041416 -3151.32538674 -9082.07171764 -2595.00311360 Tb 20.77812781 22.51878885 22.32834452 -8639.43548138 -2833.82766857 -2953.62485584 Tb 23.91048585 20.95894820 21.20259391 769.17954703 -5914.03956084 -4815.68850822 Tb 25.56504129 22.20865944 20.86550211 4245.05596128 -2771.72069650 -5075.54680541 Tb 25.28802619 21.22277084 22.68584377 6360.91994843 -8220.33189510 -1827.71087503 Tb 24.18362810 22.69581920 22.64685009 8686.60435252 -12665.73991602 -7351.47226357 Tb 21.26959405 24.20225169 20.85402479 -5335.36202821 1239.69956794 -5917.77465263 Tb 22.70996341 25.49207130 21.15300231 -2986.27229901 7022.06158714 -7393.56280608 Tb 22.53848316 23.95774659 22.41852158 -13654.80268079 3913.78141648 -10318.66609546 Tb 20.95789336 25.38825682 22.27041603 -6190.23574472 4748.57109324 -2102.49981276 Tb 24.19178619 24.17895518 21.29140871 4873.71386000 3597.32750720 -16657.02221308 Tb 25.61455359 25.53253581 21.14904689 4221.46868132 3955.59001612 -3754.10855373 Tb 25.28091226 24.10609294 22.46603997 17360.94536660 4372.21551299 -4630.38709988 Tb 23.80598025 25.32157598 22.51361598 3037.24136808 18502.04230559 -4410.51992081 Tb 20.85198705 20.97567541 23.78659576 -4721.89555549 -4216.45193453 863.52259611 Tb 22.43745442 22.27846858 23.99451428 -8303.12538957 -9974.75045750 7408.76153811 Tb 22.30502256 20.84140700 25.31668137 -1587.29154346 -4877.82043620 4162.73593886 Tb 20.91986395 22.14980090 25.59073906 -3884.94063460 -1743.60353144 3776.32880647 Tb 24.27219963 20.93381326 24.13132919 2797.80757940 -9051.26742571 3896.79564580 Tb 25.75978669 22.22592512 23.78504734 9774.04822124 -4138.42489048 3797.12203829 Tb 25.68365717 21.20288723 25.58343331 2282.84117909 -2027.71692187 2715.88258693 Tb 23.55145119 22.44809454 25.72094491 1563.63768816 -3314.53189882 9525.33100025 Tb 21.23171545 24.18190327 23.82183498 -13089.08616720 3472.84404004 3749.69936396 Tb 22.71219253 25.42485375 24.12990665 -4756.79007040 13364.35546505 5753.16079231 Tb 22.28220450 23.98456670 25.56210000 -4299.09796333 1470.24172171 10533.41172371 Tb 21.13362859 25.32702941 25.57034430 -3340.63465920 2669.46978951 3396.23156150 Tb 24.04852473 24.05473499 23.91561068 9338.05736453 6141.98401995 14315.67826765 Tb 25.63661615 25.40480033 23.87719504 6888.34633721 5863.13544021 2673.56787837 Tb 25.29869006 24.40916703 25.26735611 5977.07339293 2097.06586118 6923.02521945 Tb 23.60824416 25.24148635 25.58611608 1063.80948493 5178.34087273 7875.52401136