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=965079.4773555987 stress="-43.97217208704785 -0.5747936774099303 3.884891569543384 -0.5747936774099303 -49.95136725867195 16.895450107165768 3.884891569543384 16.895450107165768 -63.90015723020606" pbc="F F F" Pa 21.14725194 21.19243344 21.33213513 -89166.66124600 -182689.48892260 -227716.14703867 Pa 22.60745188 22.48247936 21.19076725 -69571.10153075 142750.58200651 -193731.81983282 Pa 22.73823820 21.09236459 22.25876463 -105396.62741932 -157732.09300733 262187.93756078 Pa 21.07604705 22.29642029 22.61475668 5031.08457898 595322.10530216 -365283.35423733 Pa 23.96848391 20.99788432 21.08471648 151567.77936201 -46642.44624667 -188495.55621358 Pa 25.72779157 22.23101175 21.15112794 42172.55162289 128972.89416866 -134834.65480048 Pa 25.46123676 21.04819061 22.38857160 11956.54366339 -131794.41998687 135758.40426529 Pa 23.86856014 22.66261878 22.45532979 196941.19984400 -39686.24926363 43739.04558961 Pa 21.08616048 24.17887964 20.88820286 -55192.88440193 -63079.86007784 -17002.87314735 Pa 22.20412306 25.61461796 21.15900119 89342.08269475 64776.83201692 -55477.89298363 Pa 22.58456187 23.80006052 22.90540182 31850.41291416 84445.37819189 -92319.14019017 Pa 21.23480152 25.68472245 22.73494187 -388169.00250246 88307.32985000 -363585.07530599 Pa 24.25911507 24.16942275 21.00237911 -56997.19292398 -105100.42479695 -59958.91894501 Pa 25.22869585 25.67938389 21.16175598 112717.76885171 120118.40179338 -71945.15030092 Pa 25.67601240 24.17463105 22.78049536 122467.29881568 -74766.87898580 -76732.83201320 Pa 24.21698202 25.24493625 22.61055241 -135886.64311018 122127.39375535 15243.16836243 Pa 20.96027333 21.28494404 23.79955647 -82402.88833803 -487377.78758919 518693.59403256 Pa 22.71287572 22.25070234 24.15757955 38689.81229536 538942.07106866 -533898.54994245 Pa 22.61220396 21.18871499 25.28693266 -58333.43981295 -536899.78948577 577433.27744510 Pa 21.14945326 22.69971185 25.25264128 -45017.50300545 -39921.68768047 109039.39049820 Pa 24.01535240 20.93817102 23.86075259 60129.38122234 -60956.58801950 956.42969278 Pa 25.75651753 22.61807377 24.00985138 23604.56093268 -31636.80784677 -10704.72646513 Pa 25.57256743 21.27660832 25.57247658 13155.31765388 -24166.48499021 16388.70805379 Pa 24.10411996 22.74592615 25.59351008 -177310.96310325 -169140.64702229 48029.86622310 Pa 21.11536983 23.84325920 23.83868739 -171538.59896855 41593.05025777 19588.62519316 Pa 22.23281277 25.48036835 23.95937268 579550.36565369 22978.14015710 156919.66562228 Pa 22.40129112 24.29276768 25.77808633 196778.33011841 -170396.20982327 116994.49289338 Pa 21.18501273 25.29880712 25.21595591 -435278.39824481 152325.80212677 198844.95836829 Pa 24.20961147 24.10861312 24.03756171 -96580.20137056 -222784.22669830 -131741.83129678 Pa 25.55599720 25.41997483 24.18633072 140671.47528071 115376.64419243 -18543.71283500 Pa 25.31470490 23.92002731 25.49112403 291499.37659702 91483.35967308 101607.72809403 Pa 24.12286911 25.27585391 25.27307279 -141283.23612347 235252.10588279 220546.94365371