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=965079.4773556031 stress="-3257810.2855852004 -42585.31397194858 287823.8466043321 -42585.31397194858 -3700796.897460515 1251750.107539692 287823.8466043321 1251750.107539692 -4734234.848871522" pbc="F F F" Pa 0.14725194 0.19243344 0.33213513 -89166.66124600 -182689.48892260 -227716.14703867 Pa 1.60745188 1.48247936 0.19076725 -69571.10153075 142750.58200651 -193731.81983282 Pa 1.73823820 0.09236459 1.25876463 -105396.62741932 -157732.09300733 262187.93756078 Pa 0.07604705 1.29642029 1.61475668 5031.08457898 595322.10530217 -365283.35423733 Pa 2.96848391 -0.00211568 0.08471648 151567.77936201 -46642.44624667 -188495.55621358 Pa 4.72779157 1.23101175 0.15112794 42172.55162289 128972.89416866 -134834.65480048 Pa 4.46123676 0.04819061 1.38857160 11956.54366339 -131794.41998687 135758.40426529 Pa 2.86856014 1.66261878 1.45532979 196941.19984401 -39686.24926363 43739.04558961 Pa 0.08616048 3.17887964 -0.11179714 -55192.88440193 -63079.86007784 -17002.87314735 Pa 1.20412306 4.61461796 0.15900119 89342.08269475 64776.83201692 -55477.89298363 Pa 1.58456187 2.80006052 1.90540182 31850.41291416 84445.37819189 -92319.14019016 Pa 0.23480152 4.68472245 1.73494187 -388169.00250247 88307.32985000 -363585.07530599 Pa 3.25911507 3.16942275 0.00237911 -56997.19292398 -105100.42479695 -59958.91894501 Pa 4.22869585 4.67938389 0.16175598 112717.76885171 120118.40179338 -71945.15030092 Pa 4.67601240 3.17463105 1.78049536 122467.29881568 -74766.87898580 -76732.83201320 Pa 3.21698202 4.24493625 1.61055241 -135886.64311019 122127.39375535 15243.16836244 Pa -0.03972667 0.28494404 2.79955647 -82402.88833803 -487377.78758919 518693.59403257 Pa 1.71287572 1.25070234 3.15757955 38689.81229536 538942.07106867 -533898.54994245 Pa 1.61220396 0.18871499 4.28693266 -58333.43981295 -536899.78948578 577433.27744511 Pa 0.14945326 1.69971185 4.25264128 -45017.50300545 -39921.68768047 109039.39049820 Pa 3.01535240 -0.06182898 2.86075259 60129.38122234 -60956.58801951 956.42969278 Pa 4.75651753 1.61807377 3.00985138 23604.56093268 -31636.80784677 -10704.72646513 Pa 4.57256743 0.27660832 4.57247658 13155.31765388 -24166.48499021 16388.70805379 Pa 3.10411996 1.74592615 4.59351008 -177310.96310325 -169140.64702229 48029.86622310 Pa 0.11536983 2.84325920 2.83868739 -171538.59896854 41593.05025777 19588.62519315 Pa 1.23281277 4.48036835 2.95937268 579550.36565369 22978.14015710 156919.66562229 Pa 1.40129112 3.29276768 4.77808633 196778.33011841 -170396.20982327 116994.49289337 Pa 0.18501273 4.29880712 4.21595591 -435278.39824481 152325.80212676 198844.95836829 Pa 3.20961147 3.10861312 3.03756171 -96580.20137056 -222784.22669830 -131741.83129678 Pa 4.55599720 4.41997483 3.18633072 140671.47528071 115376.64419243 -18543.71283500 Pa 4.31470490 2.92002731 4.49112403 291499.37659702 91483.35967308 101607.72809403 Pa 3.12286911 4.27585391 4.27307279 -141283.23612347 235252.10588279 220546.94365372