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=-217.21898775244495 stress="421.61880751781064 -12.531373024782269 -5.59602141443645 -12.531373024782269 409.90330008554565 -21.49671674865118 -5.59602141443645 -21.49671674865118 383.27292762187136" pbc="F F F" N -0.15767299 -0.11637942 -0.29411824 2.18835067 2.67376710 2.65751149 N 1.59870465 1.69226931 0.13547981 3.91284076 8.20327503 4.69815463 N 1.44025482 -0.06543110 1.77040464 3.78249677 8.60587876 6.24022465 N -0.23349528 1.51871767 1.56738317 11.56048155 5.08842871 6.77498036 N 2.79286828 0.22322848 -0.29386800 -2.06090411 8.21750905 8.16934808 N 4.76525236 1.63879378 -0.02979976 -7.73327846 5.06906429 10.55804372 N 4.23796914 -0.16192987 1.30657678 -12.05779634 10.55034052 10.65274918 N 3.11531057 1.63521176 1.67591052 6.33701937 4.44254070 8.17781619 N 0.17554354 2.81107024 -0.19766818 12.52571689 -4.50562721 9.26281682 N 1.57589944 4.45300395 0.17330698 -0.86190262 -12.50864620 13.47567875 N 1.39088763 3.27838045 1.64238726 8.27666977 0.68674751 8.20916956 N 0.01293990 4.75549707 1.40464565 10.57809982 -8.45802626 -1.55285013 N 2.94767245 2.96265748 -0.07457812 -6.75204941 -5.12042152 11.19269743 N 4.79638582 4.57050230 -0.02328944 -3.46236221 -3.97344233 3.62140030 N 4.54470885 2.83369616 1.41584440 -13.16285274 -8.25213380 -4.15707779 N 3.08473037 4.73759071 1.68557497 -5.45569329 -14.17746720 6.26498800 N -0.16027267 -0.16910873 3.09871241 7.27178407 6.57752493 -2.91927301 N 1.26257508 1.74213323 2.93768607 -9.00448883 12.60619727 -2.75262891 N 1.49385577 0.25843289 4.74182953 -2.83706920 7.48194338 -6.01820228 N 0.11677323 1.74029900 4.53642967 9.98711896 2.35413322 -13.49638221 N 3.11455678 -0.12516164 2.71330683 10.84068132 17.98748962 -10.59496184 N 4.32522366 1.08210275 2.94612723 -21.63293471 -9.41123641 -0.75016003 N 4.59816436 -0.04773144 4.36867508 -6.04409286 9.21759438 -11.30723724 N 3.23199491 1.79163732 4.38346398 8.48824684 12.43894114 -11.29925271 N -0.06555869 2.86693738 2.96425471 19.02352375 -13.28994096 -1.31765220 N 1.71535531 4.55308827 3.27952421 16.52505542 -22.93299979 3.76048049 N 1.77733773 3.29265466 4.61133840 7.12032319 8.25214487 -18.39866649 N -0.07932415 4.21759021 4.71027040 7.28709147 -5.92606395 -5.28649915 N 2.70857528 3.14532204 2.70366455 -12.87756874 6.20726177 -4.04357159 N 4.65904656 4.38310759 3.18630321 -18.11782483 -11.90962790 10.29188016 N 4.27268544 3.09502924 4.36329907 -22.46599731 7.04904962 -13.34908009 N 3.19697729 4.35412885 4.22216517 -1.17868498 -23.24419832 -16.76444414