32 Lattice="6.83669516749795 0.0 0.0 0.0 6.83669516749795 0.0 0.0 0.0 6.83669516749795" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.09869971966036 stress="-0.01570972450861889 0.0009511458725479241 0.0022004834874587253 0.0009511458725479241 -0.016640957865205926 0.0031363994627102002 0.0022004834874587253 0.0031363994627102002 -0.016354216318549587" free_energy=-106.09869971966036 pbc="F F F" Ni 0.02785380 0.01917439 0.02675768 0.29139662 0.41671754 0.27350530 Ni 1.74050151 1.69230985 0.02211192 -0.40303001 0.23196382 -1.29787881 Ni 1.68320203 0.03150538 1.68914772 0.21997984 -1.13930675 0.28184043 Ni 0.00904965 1.73177629 1.69347289 -1.17658897 -0.36418656 0.15497941 Ni 3.38826241 0.05409374 0.01856000 0.23097155 -0.37689120 -0.14243956 Ni 5.13052077 1.68710417 0.03251449 -0.04530540 0.30489122 -0.01983512 Ni 5.12212916 0.00047337 1.67856152 -0.10521821 0.11697867 0.29573199 Ni 3.40764026 1.73090340 1.71771344 0.30033085 -0.05161180 0.27670050 Ni 0.01803766 3.36612277 0.03164263 -0.11338709 0.29258708 -0.30138772 Ni 1.67638915 5.12497556 0.00813140 0.25401758 -0.17229910 0.16553123 Ni 1.68354903 3.39874343 1.70573038 0.60400475 0.51312540 0.21372535 Ni 0.01931154 5.13259760 1.71009482 0.01293564 -0.08527262 0.08727582 Ni 3.39332913 3.40330181 0.01649707 0.16822735 0.30106934 -0.92747945 Ni 5.10238886 5.09735827 0.02604217 -0.42298759 -0.37236860 0.32559051 Ni 5.10907509 3.44066897 1.70597533 0.95442868 -0.09839749 0.12167722 Ni 3.43880886 5.14636753 1.72412619 -0.36259037 0.62171798 0.01291257 Ni 0.04962851 0.04276631 3.40882789 -0.28003028 -0.30692219 -0.10369843 Ni 1.70205086 1.72578853 3.42697227 0.37901794 -0.04956440 -0.06636442 Ni 1.72379204 0.01427063 5.12033119 0.31437643 -0.04380191 -0.01337977 Ni 0.03379126 1.65512433 5.12029101 -0.12044874 0.45206226 0.12645570 Ni 3.41496287 0.02461490 3.38317425 0.18538187 -0.75889872 0.30450724 Ni 5.16164379 1.72742307 3.42678547 0.70966251 -0.38970855 -0.17282651 Ni 5.11934251 0.01486906 5.13899260 -0.59694698 0.55613610 -0.64579387 Ni 3.44607824 1.72386456 5.14938111 -0.07746304 -0.38797188 0.72936862 Ni 0.00690913 3.40623374 3.39557095 -1.04452620 0.13069660 0.40442202 Ni 1.70740960 5.10026003 3.44078625 0.12686823 0.91788658 -0.20109403 Ni 1.72900415 3.40689379 5.11662552 -0.29775273 0.10548211 1.06212062 Ni 0.01186147 5.12835130 5.09590401 0.50139557 -0.57170305 -0.47097090 Ni 3.43274634 3.39576380 3.44138058 -0.12183367 0.44030803 -0.37063232 Ni 5.14551476 5.15112685 3.43038448 -0.31668407 -0.23847226 -0.02159004 Ni 5.11204145 3.41825978 5.09553648 0.14770733 0.21107156 0.19640857 Ni 3.40272130 5.14184486 5.14929327 0.08409062 -0.20531717 -0.27738215