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:Z:I:1:forces:R:3 energy=8517.799054823618 pbc="F F F" Mt -0.27348731 0.00797136 -0.25031894 109 -103.47147759 -111.59234994 -112.79693383 Mt 1.31053070 1.42890947 0.27719705 109 332.06565461 2339.10516619 -1513.56721318 Mt 1.58113306 -0.12326507 0.98169033 109 -365.64600067 -2484.65415486 1710.29522069 Mt -0.27744747 1.57591572 1.25198902 109 -809.84037177 127.02009663 443.93612962 Mt 3.06670475 0.09891466 -0.09053982 109 807.05607004 69.80517320 -697.03111743 Mt 4.75113097 1.73611973 0.29223915 109 1282.82656285 -1388.63965879 -1965.30972936 Mt 4.46041905 0.26136947 1.55476831 109 137.52591654 -828.74156750 22.42023707 Mt 3.24983276 2.01284344 1.37182315 109 -4004.81639030 -1265.77958993 -347.59964079 Mt -0.11341796 3.22781448 -0.11342332 109 -3086.71246046 -3845.57548261 -2439.98316144 Mt 1.19224848 4.27977612 -0.05384116 109 3687.18732529 2459.76319245 -616.39636916 Mt 1.28035707 3.06110843 1.98137704 109 540.46473545 -635.67290770 -683.38399845 Mt -0.05989643 4.20256669 1.30519924 109 -1147.47028378 1950.19328370 2700.72447696 Mt 3.28646245 2.86366818 -0.17105445 109 -627.97805983 1159.80272234 -1920.82682354 Mt 4.57145894 4.47055125 -0.15577144 109 318.05138828 155.33789379 -251.40771344 Mt 4.75177412 2.92173045 1.61138163 109 2927.74198319 3601.32167031 -2105.23410005 Mt 3.34926821 4.60896611 1.43386578 109 -645.93884140 228.03927588 -228.83818280 Mt 0.14064768 0.34996253 2.89267855 109 -342.68592771 -423.77084526 -67.88110105 Mt 1.75588813 1.45918369 3.02429671 109 -588.42216275 1131.02104175 -85.26163185 Mt 1.38491274 0.11810491 4.68442948 109 -42.85024853 -129.49782844 261.15123481 Mt -0.16115738 1.65036502 4.53934123 109 -489.95149189 -11898.71987252 12639.03932562 Mt 2.88290898 0.08491556 3.22830934 109 984.16207461 -1401.15051257 -86.93638621 Mt 4.26039789 1.78186809 2.73586230 109 673.87644670 -2760.32889207 5070.45238346 Mt 4.50340635 -0.13919840 4.70040224 109 134.21480486 -115.95126476 48.72237014 Mt 3.27121628 1.57602900 4.61789366 109 -1545.03581298 -1339.27087061 169.88223718 Mt -0.12614894 2.68839632 3.45901465 109 147.72857306 11910.32033612 -12442.14429291 Mt 1.33728151 4.31304023 3.37120900 109 -180.03843053 3854.88627076 -4168.47796096 Mt 1.79425963 3.21217993 4.49980167 109 -1338.37270618 -4299.52244402 5431.29849353 Mt -0.02897318 4.67976242 4.41694209 109 -1581.73657376 492.04031911 1226.67230096 Mt 3.07566052 3.37731027 3.38001171 109 1253.72324545 -1059.02225516 -2487.52907952 Mt 4.58661923 4.21304730 2.83896700 109 1401.27679987 1671.43765467 1128.01583127 Mt 4.53427950 2.78246304 4.74271984 109 1696.24785073 1419.60352521 319.87350620 Mt 3.04908503 4.57913865 4.75849071 109 576.81780858 1418.19287462 1048.12168847