32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=196289.71657744085 stress="-9.853150579036264 1.8145256272091246 -1.5773606755341438 1.8145256272091246 -10.923913878718073 -0.6065591796438671 -1.5773606755341438 -0.6065591796438671 -11.683420230792613" pbc="F F F" Bk 20.91595748 21.48846642 21.05243509 -3876.02252240 -2957.58236099 -1273.93186889 Bk 22.64923062 22.48726989 21.09652938 -29721.88188763 7081.59952759 -27344.19253089 Bk 22.36977884 21.23929497 22.70919337 -41298.33606364 -148690.05212536 -144146.55396033 Bk 21.08727863 22.99609806 22.72029676 -14686.88391085 -10034.24328470 -930.95602113 Bk 23.88065159 21.25406401 21.17534895 12791.90581589 -21335.02343275 -4272.14433246 Bk 25.64588213 22.22179492 20.94353639 4165.77812615 7279.72620653 -11591.63543644 Bk 25.46337750 21.35387801 22.53412380 5385.46198591 -8543.02013664 5984.10334629 Bk 23.72428500 22.77038676 22.38379021 76393.01127430 -52569.98668528 -2837.16715323 Bk 21.12471597 23.72359724 20.97030311 -4287.74334972 5057.89454300 -8129.84204080 Bk 22.67777764 25.34400590 21.21519316 3771.42426534 48139.70077796 -64563.51261341 Bk 22.68057067 23.89585646 22.74673768 -48276.73439242 65385.23935134 19199.34223034 Bk 21.46344956 25.51367645 22.19099121 -71157.99031799 12265.76259248 55608.37118951 Bk 23.74135485 24.16861351 21.11125720 45338.02390767 -74434.45130536 -41972.75709854 Bk 25.54871384 25.30336976 21.35626711 22603.11524223 1909.81909626 -14467.23416123 Bk 25.21548139 23.84982338 22.82362869 -16632.28831107 177222.15994381 -205224.43681836 Bk 24.08180300 25.31867591 22.27174570 1460.11772806 33486.11969477 49943.14704710 Bk 20.92975090 21.14924399 24.20815523 -6983.96254485 -21925.03624067 -15702.65601098 Bk 22.65283892 22.25354470 23.73383273 13244.34683734 147236.87733076 154497.15942861 Bk 22.78469118 21.01288443 25.32794669 -23273.63720894 -27803.97622433 -2926.30617131 Bk 21.11210545 22.45878719 25.30522632 -2414.57794956 11135.80246970 22081.04300105 Bk 24.15575318 21.43352305 23.93265031 11818.83251750 -18478.94146264 -928.44084909 Bk 25.37010934 22.90541063 23.89807154 43075.03383621 -182532.29899373 196783.27546339 Bk 25.65018797 21.23704621 25.05956014 8266.77351246 -3765.74173431 5940.17037481 Bk 23.89780462 22.20791799 25.74931395 20786.81064859 25496.22525395 13600.27557120 Bk 21.20352251 24.05555756 24.27762050 -112368.07573992 5051.82803362 -102288.59429649 Bk 22.45736254 25.59576352 24.25478996 6103.54152826 10800.62899878 -6756.19259188 Bk 22.36921242 23.93524567 25.23417072 114389.48043707 -21779.25166017 95506.53363607 Bk 21.13664329 25.21119634 25.59084624 -14523.97911638 22377.11926922 23011.40571593 Bk 23.97757627 24.03820550 24.29067365 -24205.66459414 4797.39351132 -17810.89275333 Bk 25.68006769 25.55104884 24.00839137 2084.38025170 2948.85567237 -700.05959505 Bk 25.25146478 24.00769029 25.42858708 40883.42107489 -24082.18643433 21767.71566643 Bk 24.28510216 25.37037240 25.66983307 -18853.68108008 31259.03980780 9944.96363311