16 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=-40.95039369388527 stress="-539.4240778663335 262.05792901875793 -335.9071733174925 262.05792901875793 -506.34128530948226 -10.813949757464457 -335.9071733174925 -10.813949757464457 -563.8171147387189" pbc="F F F" Mt 0.01512894 -0.23611370 0.17345192 6.07579784 5.36702055 5.96890295 Mt 1.63004832 1.63882818 1.67580650 -13.26566856 18.91299005 -61.94698378 Mt 2.93011182 0.00618241 0.07492101 -5.72392133 3.98449467 4.36874229 Mt 4.41642578 1.77188606 1.11583055 181.90001911 -186.73514818 201.89929872 Mt 0.00723984 3.18378102 0.52513560 -20.14398705 -21.26539702 -11.21322750 Mt 1.60431640 4.67238496 1.28108139 27.63705280 9.86387698 16.79325917 Mt 3.27546578 2.93381917 -0.04626199 -198.39777846 184.59902919 -188.33483326 Mt 4.34713988 4.70336249 1.29699375 -1.99397146 -0.76416789 7.33779793 Mt -0.14705795 -0.06421266 2.90390318 2.65109738 3.27234226 -8.12943044 Mt 1.41468440 1.31122700 4.24154796 -82.47074953 46.17349161 112.21693234 Mt 2.90889699 0.45324886 3.03835614 136.32299682 -104.71030968 -65.70528585 Mt 4.48909792 1.62036628 4.35064348 14.57347450 5.91773820 12.73502018 Mt 0.27002037 2.88230522 3.05431903 -98.30516619 -45.79045934 -96.87634201 Mt 1.20388082 4.20077192 4.41581467 65.03352805 87.80789945 91.33088348 Mt 3.18257481 3.29864411 3.18843404 -46.89158874 -46.69417078 -62.06992786 Mt 4.28125371 4.63741368 4.55220285 32.99886483 40.06076993 41.62519364