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=97752.2851401509 pbc="F F F" Md 0.09665579 0.02755660 -0.05712059 101 -909.81994724 -3058.21738718 -2671.82003523 Md 1.48626027 1.55110338 0.06071938 101 -2934.16438565 -3149.04772304 -6783.96978827 Md 1.39051973 -0.02188755 1.63570113 101 21406.81488628 -4935.62578886 -19227.14177396 Md -0.20715712 1.45485452 1.22192105 101 -2814.79884938 478.34011495 2943.04508087 Md 3.22859579 -0.01962664 0.17933839 101 -533.95259015 -2732.09690724 -1651.43061448 Md 4.59275492 1.52309892 0.22214197 101 4289.97952066 -13558.54982071 -11413.75909045 Md 4.44633720 -0.11354224 2.03469869 101 6932.87111534 -2140.87050876 -3848.31160729 Md 2.97141002 1.62405031 1.29084505 101 26596.79196743 -75511.40943327 46904.46088765 Md -0.09884286 3.01746908 0.12317220 101 -1407.86372657 2129.48372002 -2418.71049290 Md 1.30738614 4.51843033 0.13633087 101 1898.77115350 1175.46087321 -2100.99690753 Md 1.73627755 2.57346584 1.62849012 101 -31279.87773868 22222.90726331 10492.23032098 Md 0.23571311 4.50032570 1.79730324 101 -19430.97385732 41343.31265565 -43099.82145925 Md 3.01638355 2.72603381 0.25389817 101 2591.30379709 56520.31292221 -56523.00844289 Md 4.50408956 4.44061504 0.50182161 101 108814.45152244 11820.64499708 -90902.06174649 Md 4.66309884 2.88801299 1.23443974 101 7199.13787523 -3423.65215169 13191.07272205 Md 3.34722342 4.45127955 1.36811117 101 -141164.90548672 9502.11106321 51420.87684280 Md 0.17500778 0.16385803 2.70098354 101 -23363.77052931 913.25201549 19219.80828189 Md 1.67688000 1.36542913 3.24303038 101 -28055.74078247 2928.56000733 -14094.26504014 Md 1.17617445 -0.18447102 4.56064628 101 1921.75551132 -3342.49243775 1176.68206610 Md -0.04731203 1.30082014 4.73296147 101 -2370.20176751 2338.42429813 725.03112950 Md 2.96264050 0.26845708 2.97440193 101 4093.45640483 -9968.83312434 205.90765530 Md 4.47453302 1.80801605 3.36165772 101 6150.33937345 201.92888878 -6301.99305714 Md 4.27070659 0.32348871 4.47416867 101 1867.37151564 -4858.40047358 4667.80498954 Md 2.85065633 1.77979269 4.31484258 101 71741.59643364 -49805.02307076 4591.13406058 Md -0.10733747 3.26721220 2.73437466 101 -18643.24747919 -36676.04944816 23554.30224273 Md 1.45212845 4.07980414 2.75275528 101 33606.91388235 -412.26967290 22786.02040395 Md 1.79765848 2.81062654 4.60147615 101 -59425.32143709 57379.17052374 18163.54051565 Md 0.12032350 4.33378572 4.56002054 101 -409.12382174 723.72207547 1058.81551609 Md 3.26275813 3.29698338 2.90506382 101 -16585.47435095 -18857.37077710 1533.65739425 Md 4.49862657 4.28909370 2.43882784 101 48703.33182719 13866.60430392 28123.15920262 Md 4.45363103 3.22880438 4.65437077 101 11505.96475504 -5909.44806826 5429.75987369 Md 3.14038271 4.30837103 4.37554284 101 -9991.61479148 14795.12107109 4849.98086977