64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=98.963654461679 stress="-0.0029531794634827372 -0.0007187886787587438 -0.0011346944673357468 -0.0007187886787587438 -0.0033655254312731316 -0.00022905173043597725 -0.0011346944673357468 -0.00022905173043597725 -0.002375307409706298" pbc="F F F" Nb 35.22086729 34.98310996 34.77096654 -7.34540903 -4.89406560 -5.97397318 Nb 36.59933616 35.93572417 35.98055861 -15.80477873 -48.15384618 35.49024228 Nb 37.14715992 37.22516294 35.23402360 -2.65025454 18.74192974 -62.03839755 Nb 37.93229823 38.31172061 36.19084223 19.72591531 28.57471154 17.08499907 Nb 36.90181109 35.14771729 38.20399864 6.87225965 -2.95146718 -2.72024954 Nb 39.35802973 36.07349581 38.45018589 -0.87603552 -8.02033935 1.13727791 Nb 34.76884260 38.20444678 38.02575960 -7.46973638 -4.28613012 -6.43096063 Nb 36.55604684 39.07636534 38.99475015 -64.53278080 149.09724042 -82.74238654 Nb 40.23975440 35.55577733 35.25284888 -8.65703177 -1.73756625 -7.20763680 Nb 41.57116719 36.00454661 36.78983070 -3.62611134 4.58009903 5.92390246 Nb 42.51432400 36.93324962 34.86420263 -11.55451409 -24.94796031 -19.22769964 Nb 43.20908703 38.32278521 35.69931252 13.40794778 26.08462703 16.02769554 Nb 43.25689929 35.29825864 37.73298279 7.02787985 -7.11577334 0.60934135 Nb 43.94092265 36.65431560 39.35194034 21.21025549 -13.87927864 -15.76001778 Nb 39.55099860 38.17006611 37.70524095 -22.53145369 -4.03655943 -27.74488209 Nb 40.91068131 38.21407994 38.73376685 41.88728083 -4.39434820 23.04906604 Nb 35.15536010 39.99614724 34.79940458 -25.70877786 -26.62142741 -33.09457627 Nb 36.02132805 40.85688556 35.93157558 4.87322356 11.94758796 46.78552734 Nb 37.30838317 41.76987049 35.01570212 19.08758132 12.89207010 -15.25555141 Nb 38.61643991 43.32327578 36.40123177 -93.28552203 59.37839198 -62.90696899 Nb 37.95366604 39.88968876 37.71888199 -54.96599038 -25.94187955 -23.88702767 Nb 39.18297782 40.79320854 38.07046110 57.11527821 43.15898619 14.08779901 Nb 34.90897307 42.92701544 37.63905551 -4.25161205 -7.99791237 -9.62819722 Nb 35.71703128 44.04866904 39.11824152 5.93442845 6.63083231 10.41179069 Nb 40.38312612 40.32456005 35.03758064 -7.55892865 -5.30436315 -9.36696137 Nb 41.60365422 41.12475624 36.46651109 -17.79748122 31.71797224 -16.33421784 Nb 41.85130811 43.21665008 35.25253907 -5.00250836 -0.16974125 -1.94822938 Nb 43.90115472 43.92104870 35.88926905 4.18190023 0.55318962 2.46439652 Nb 42.58087455 40.09122498 37.35935114 15.43272604 -42.83357063 16.68751036 Nb 43.62110655 41.43106942 38.19906879 13.92655394 14.30071090 8.30667455 Nb 39.66448343 42.68403127 37.11226018 92.86055418 -48.47532868 55.93909196 Nb 40.97555741 43.31914392 38.89352680 -33.82113785 16.64238549 -18.74843355 Nb 35.05683674 35.46916971 39.29623789 -21.95413992 -8.86122214 -13.10495853 Nb 36.17607196 36.20110399 40.58632960 11.76796299 4.15027550 20.34453522 Nb 37.00297454 37.99791377 39.62151619 63.93447660 -152.67441418 87.26668990 Nb 38.58185949 38.51894432 41.34725891 -1.88855442 -6.51616064 9.77968173 Nb 36.58701770 34.91927757 42.62646796 -0.18886278 -0.47673668 0.86776606 Nb 38.92442916 35.75571598 43.30519610 -45.06429890 -69.84990001 18.12533258 Nb 35.19715962 37.89697478 42.93075185 -44.81394693 -45.36414183 -27.82576881 Nb 36.22422232 38.91950201 43.54655608 12.53142672 15.44839649 46.13861903 Nb 39.77228412 35.41553907 40.84226646 -19.24256062 -6.98103188 -7.07423727 Nb 41.48837336 36.00831489 41.43404765 -29.55847126 78.52597735 -31.72290064 Nb 42.84911873 37.57553626 40.41930713 -115.15921665 -100.01334996 -62.29064393 Nb 43.60556472 38.49425818 41.03735392 98.12829068 120.06807190 82.05411355 Nb 42.20384740 34.85081933 42.03810700 46.41673937 -74.68874089 38.97894097 Nb 43.82898977 36.05759461 43.76534421 -1.01500504 1.39728868 -1.09257624 Nb 39.73333753 37.00409575 43.00005349 37.72155730 63.71458743 -20.38901531 Nb 41.03695434 38.28719268 43.94632733 8.37190563 7.64141286 3.99306158 Nb 34.94292271 39.80099153 40.20999044 -10.61467779 2.38055730 6.53412011 Nb 36.26332309 41.49467021 41.17665376 -2.16111713 -0.15549065 4.12954441 Nb 37.82350393 42.21827495 39.80335328 -15.45018580 -20.25453820 -27.93372260 Nb 38.63834321 43.28337470 40.87827378 17.34724017 26.84344722 25.26086199 Nb 37.36102597 39.94186987 42.87644269 27.51709601 28.94918826 -19.62905465 Nb 39.23911782 40.86547492 43.69892213 2.62307087 -0.09471744 4.98048773 Nb 35.06236183 42.74812411 42.77511221 -6.91005379 -4.14942150 -2.62162094 Nb 36.48115325 43.96771709 43.78828861 6.82947819 4.06486780 2.98351738 Nb 39.68857725 39.62342496 39.94578024 4.44078908 4.39194741 5.64264169 Nb 40.89974943 41.22892384 41.12165250 30.53345149 -66.37546549 -86.54496557 Nb 42.34497277 42.78015998 39.71375535 36.55181198 -12.53049566 22.48770896 Nb 43.88267273 43.86430419 41.59585655 -1.28376286 -1.36413120 0.89349171 Nb 42.58408063 40.67016232 42.02045641 10.00932112 -5.57709974 0.05566813 Nb 43.53876595 41.01639986 43.91426806 2.32513980 1.72026365 6.22281648 Nb 40.39757659 42.11536967 42.13716159 -39.76797421 72.00278128 78.68853886 Nb 41.08374732 43.77016552 43.57819544 1.91934954 2.08881804 1.81237878