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=1521.33402669 stress="-46.68417652437978 13.520466024014038 1.6451875868470054 13.520466024014038 -75.48219932193432 -28.417585308986432 1.6451875868470054 -28.417585308986432 -59.513072601545716" pbc="F F F" U 0.07995973 -0.07001339 -0.18672232 -34.02570979 -54.85471198 -13.38640701 U 1.00976320 1.68220204 -0.10596134 50.63927529 -20.90824792 -42.53488104 U 1.73573857 0.28275419 1.27538150 -208.12843774 32.90208066 285.01016065 U -0.23220972 1.19507361 1.73904674 -47.69613955 -10.47231201 -69.91007692 U 2.78984966 -0.04301346 -0.07700850 218.49931174 -73.11938742 -282.51548486 U 4.56284579 1.58502656 -0.05138648 10.95053813 -2.97056719 -8.46188181 U 4.58733727 0.34839168 1.90553417 22.83825579 -16.76347485 -22.35389745 U 2.77217243 2.00076491 1.72343888 536.36640825 -1017.17866869 -388.68213780 U 0.04396501 3.26255467 0.40257051 -15.43234829 -1256.96374067 -756.41101839 U 1.84735909 4.26922180 -0.08520048 -331.69794193 582.12798322 -24.39110125 U 1.62062187 3.18745344 1.52015752 -865.26217812 276.66115738 -733.60392863 U -0.06586643 4.63143398 1.15882829 -121.77687262 1334.59970781 726.56156104 U 2.75213077 2.86697239 -0.22384118 351.54559491 -527.39705351 -86.40906883 U 4.37003578 4.34931187 0.12968218 19.12193769 20.12252414 -34.89030898 U 4.64846848 3.29977655 1.87426962 124.33566932 -275.60237343 -275.38646390 U 2.95416817 4.57327937 1.69989723 -73.97958255 259.72976128 -399.42647500 U 0.17275166 -0.12574141 3.15720406 -51.86189615 -522.01781713 -314.32760415 U 1.26564846 1.38507600 3.29768454 1144.07707089 128.33948811 -712.11960717 U 1.43105874 0.12046021 4.63756854 120.38328391 -204.41017804 200.41254889 U -0.02988876 1.20220318 4.21755886 -1120.39400099 301.26067591 951.71263419 U 3.12685323 -0.19787514 3.26235339 -57.01720764 -78.30890752 -75.92004867 U 4.45176950 1.95764521 3.21211731 -224.13355658 -1358.55818670 -1386.25222182 U 4.44968690 0.29594673 4.58228656 228.95076404 -117.45309433 74.77593085 U 2.99042854 1.35687199 4.47664413 -149.45343494 175.82457765 51.65892090 U 0.24122900 2.76864816 2.81634348 -204.11862139 224.62829968 1.44333832 U 1.41236730 4.48566276 2.81443107 -325.62962533 377.43366899 171.71486385 U 1.49234056 2.90894625 4.66136992 -4.15166093 13.83314733 35.09501492 U -0.24646430 4.30023753 4.70315195 -7.65261401 6.76082813 3.05865369 U 2.63231861 3.23110688 2.82745478 578.40705481 103.19123141 1229.96033565 U 4.30031125 4.70071341 2.82858036 178.15058643 370.01088738 409.13112644 U 4.64720807 2.98419090 4.33700228 368.74378111 1219.97686770 1435.54079041 U 3.27559981 4.21321713 4.54201032 -110.59770374 109.57583459 50.90673389