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=196289.7165774414 stress="-730000.2200996403 134434.574668671 -116863.49772897146 134434.574668671 -809330.9314464668 -44938.75650145073 -116863.49772897146 -44938.75650145073 -865601.2380589638" pbc="F F F" Bk -0.08404252 0.48846642 0.05243509 -3876.02252240 -2957.58236099 -1273.93186889 Bk 1.64923062 1.48726989 0.09652938 -29721.88188763 7081.59952759 -27344.19253089 Bk 1.36977884 0.23929497 1.70919337 -41298.33606363 -148690.05212536 -144146.55396032 Bk 0.08727863 1.99609806 1.72029676 -14686.88391085 -10034.24328470 -930.95602113 Bk 2.88065159 0.25406401 0.17534895 12791.90581589 -21335.02343275 -4272.14433246 Bk 4.64588213 1.22179492 -0.05646361 4165.77812615 7279.72620653 -11591.63543644 Bk 4.46337750 0.35387801 1.53412380 5385.46198591 -8543.02013664 5984.10334629 Bk 2.72428500 1.77038676 1.38379021 76393.01127430 -52569.98668528 -2837.16715323 Bk 0.12471597 2.72359724 -0.02969689 -4287.74334972 5057.89454300 -8129.84204080 Bk 1.67777764 4.34400590 0.21519316 3771.42426534 48139.70077796 -64563.51261341 Bk 1.68057067 2.89585646 1.74673768 -48276.73439242 65385.23935134 19199.34223034 Bk 0.46344956 4.51367645 1.19099121 -71157.99031799 12265.76259248 55608.37118951 Bk 2.74135485 3.16861351 0.11125720 45338.02390767 -74434.45130536 -41972.75709854 Bk 4.54871384 4.30336976 0.35626711 22603.11524223 1909.81909626 -14467.23416123 Bk 4.21548139 2.84982338 1.82362869 -16632.28831107 177222.15994381 -205224.43681836 Bk 3.08180300 4.31867591 1.27174570 1460.11772805 33486.11969477 49943.14704710 Bk -0.07024910 0.14924399 3.20815523 -6983.96254485 -21925.03624067 -15702.65601098 Bk 1.65283892 1.25354470 2.73383273 13244.34683734 147236.87733076 154497.15942861 Bk 1.78469118 0.01288443 4.32794669 -23273.63720894 -27803.97622433 -2926.30617131 Bk 0.11210545 1.45878719 4.30522632 -2414.57794956 11135.80246970 22081.04300105 Bk 3.15575318 0.43352305 2.93265031 11818.83251750 -18478.94146264 -928.44084909 Bk 4.37010934 1.90541063 2.89807154 43075.03383621 -182532.29899374 196783.27546339 Bk 4.65018797 0.23704621 4.05956014 8266.77351246 -3765.74173431 5940.17037481 Bk 2.89780462 1.20791799 4.74931395 20786.81064859 25496.22525395 13600.27557120 Bk 0.20352251 3.05555756 3.27762050 -112368.07573992 5051.82803362 -102288.59429649 Bk 1.45736254 4.59576352 3.25478996 6103.54152826 10800.62899878 -6756.19259188 Bk 1.36921242 2.93524567 4.23417072 114389.48043707 -21779.25166017 95506.53363607 Bk 0.13664329 4.21119634 4.59084624 -14523.97911638 22377.11926922 23011.40571593 Bk 2.97757627 3.03820550 3.29067365 -24205.66459414 4797.39351132 -17810.89275333 Bk 4.68006769 4.55104884 3.00839137 2084.38025170 2948.85567237 -700.05959505 Bk 4.25146478 3.00769029 4.42858708 40883.42107489 -24082.18643433 21767.71566643 Bk 3.28510216 4.37037240 4.66983307 -18853.68108008 31259.03980780 9944.96363311