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=16025.95453676631 stress="-60411.527869377904 -12114.393759432467 4662.249644363532 -12114.393759432467 -82474.98462023109 8527.096354667214 4662.249644363532 8527.096354667214 -68569.59332771988" pbc="F F F" Po -0.03430671 -0.02007329 -0.22315473 -126.21544903 -121.40737349 -54.39661379 Po 1.40363595 1.58241113 0.13183311 -165.76355938 -1269.61915185 -1389.82073477 Po 1.59779586 0.05431363 1.54368958 -558.33132703 -792.48233665 -508.73975090 Po -0.01619117 1.59822622 1.78750867 -1238.21793170 -2474.73465029 -1934.88989233 Po 3.23532529 0.13509782 -0.01687770 -9495.91161797 -8276.56875093 386.85653530 Po 4.39973155 1.20835305 -0.15884349 9037.60282117 8546.47265147 -1505.91684398 Po 4.57153477 -0.09986223 1.37383147 1058.91495996 -651.23095670 627.25480309 Po 3.13376234 1.22446616 2.03912663 -48.74470969 14511.67209987 -9302.58957201 Po -0.00368624 3.21357324 0.22102879 -890.89388622 -7411.78340155 -6878.30861217 Po 1.71991613 4.58047108 -0.03965937 -4025.00218545 1774.60902354 -5490.16283697 Po 1.68351239 2.99766256 1.27290680 -3842.55495964 -3412.25543060 2817.30294103 Po 0.02775942 4.44077892 1.27063496 -236.85042725 8414.65653680 5867.31889828 Po 2.99364187 3.00885058 0.05339694 1196.80588195 -2834.04379800 -3822.77249897 Po 4.28874077 4.37400866 0.00810829 1320.14128433 1374.34469621 -834.42114263 Po 4.39351558 2.98216391 1.42298234 1016.71168841 -730.46396054 358.98849673 Po 2.73628792 4.31848661 1.25636540 6382.14150834 5195.79249421 6857.80184502 Po -0.12717210 -0.19054576 2.95281588 -699.67857487 -807.85378770 -46.51750138 Po 1.24033549 1.17422518 3.23674212 4886.78989347 1631.84000323 -7705.41662602 Po 1.48077807 0.06914798 4.59923712 3011.03596692 -5067.22866689 2428.57968780 Po 0.29427095 1.32009241 4.57408139 -7429.68001531 3776.07479532 6422.41205803 Po 3.12498826 -0.07363591 2.89064282 -106.38716976 -14604.27392302 9109.73693127 Po 4.71023728 1.51950251 3.26501324 1295.18304637 248.78849095 -1009.15311339 Po 4.61473928 -0.04124107 4.43713256 1036.11974251 -1432.04548690 612.19545527 Po 3.19682544 1.20376332 4.42635753 -1262.43865448 1162.77052260 1022.02499118 Po 0.28354379 3.11671919 2.62473931 -1035.35801260 792.65847303 1958.40728253 Po 1.38600452 4.44363880 3.26390776 5088.92536816 5797.19644098 -8059.43323358 Po 1.75943233 3.15951543 4.32143544 865.95582008 -5659.35309309 2901.24806549 Po 0.24909670 4.26657327 4.44252642 -6418.32736034 64.12628850 5776.32249152 Po 3.42386852 3.29352933 3.16341367 -3363.85597227 -1318.21904304 -1755.76722832 Po 4.47620852 4.68042103 2.67287747 1359.90975857 1949.98637084 -429.92176766 Po 4.62405311 3.11937950 4.43209460 2323.82476723 127.04676572 2790.97990854 Po 2.88213517 4.56148920 4.75129749 1064.14930554 1495.52815797 790.79757779