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=736051.0683102645 stress="-14.575383601579667 5.570003413804646 1.24778610355511 5.570003413804646 -5.84717256085543 1.126839807355193 1.24778610355511 1.126839807355193 -5.494677777368532" pbc="F F F" Bk 35.10616871 35.87855548 34.96026205 -6369.47349981 -4855.54560712 -6858.79160341 Bk 36.22309003 36.72917698 36.15917765 14316.54793783 6875.21969172 -11334.95072952 Bk 37.26576026 38.09642639 34.59865506 -628.87549853 204.69588536 -1565.98599822 Bk 38.48284650 38.20987245 36.35114614 742.55953013 269.91408345 259.23755958 Bk 36.75314112 35.41910474 37.42564419 2683.22707526 -5570.62507675 4607.90746940 Bk 38.49842313 37.21988885 38.53563500 159815.59434400 -9705.58327437 -165409.82452982 Bk 35.16563919 37.00762919 37.56115905 -11100.20458265 2574.51909978 13329.61557029 Bk 35.98754403 38.89450206 38.43653285 -508089.72807214 -170386.28439751 247279.97799678 Bk 39.71300558 35.24493588 35.65184293 -12025.30122208 -4435.04289059 -5850.30639701 Bk 41.25990721 35.80629674 36.39676208 11891.42827033 -4088.04941092 6054.12973782 Bk 42.04504338 37.33355539 35.54924049 2717.28284262 5073.54335092 -2931.00752748 Bk 43.83071914 39.20348221 36.12498608 363.93002685 -120.77822400 -325.41838477 Bk 43.39355421 35.28523837 37.47764194 -2114.23471831 -4986.43461085 -5384.74476079 Bk 43.95910071 36.49048137 38.81861504 2555.06571161 4732.00643913 5374.78820672 Bk 40.17964839 37.10723797 37.37494123 -320.68784825 2699.18736710 1251.57167865 Bk 41.74594344 38.57261081 38.39227170 -57290.86109094 33299.35777857 -104508.64443447 Bk 35.13676595 39.95959454 35.56576886 -375.18987099 -275.78374472 -263.38291427 Bk 36.72465788 41.18005814 36.71206827 199.13197439 757.28630089 59.90705501 Bk 37.06407431 42.47934511 34.62248665 2.51889857 85.39829679 -191.54565244 Bk 38.63875447 43.30262173 36.71385744 -82036.38409820 47930.43754584 -62962.06050572 Bk 37.15532164 39.28366527 37.86648397 509237.02890137 169657.43439736 -248086.49711115 Bk 38.30735716 41.40614566 39.50189558 319521.39499788 -579090.82175906 -196413.23492109 Bk 34.65371957 43.12584006 37.98535224 -969.98949395 -660.02473099 -916.52884796 Bk 36.04646083 44.07113927 39.30482039 626.89137910 994.24143148 782.19035846 Bk 40.58328635 39.39588908 34.79438840 -104.49408666 -158.10539872 -184.47018714 Bk 41.21547489 41.32426049 36.10073577 -206.24187230 46.08176907 101.29778531 Bk 42.40429400 42.60729897 34.56226949 58.12001145 84.85453496 -522.40481077 Bk 43.70572878 43.84652447 36.13761020 176.65947247 167.47036008 219.52723541 Bk 42.36136405 40.01791427 37.72453238 10467.08951963 24937.26057566 -10976.39504462 Bk 43.74646941 41.81836503 39.47563477 151854.65825212 -134435.28763130 -37156.72027314 Bk 39.74671834 42.65598191 37.56428422 81814.69899234 -47820.49130546 62977.05790594 Bk 41.73183065 43.29326941 38.89049304 -439202.51330688 248433.60751407 -397358.31399134 Bk 35.48773179 34.96025686 39.45417725 -520.50163592 -1180.31236967 -1111.50342155 Bk 35.94912503 36.27167921 41.04193575 -411.58602587 1053.32309774 564.48042036 Bk 37.48581683 37.28012627 39.58164196 -161519.50279510 9645.37347574 167156.59992848 Bk 39.01098224 39.30612507 42.10236299 2091486.54781529 -906307.71201213 -313165.63979882 Bk 37.64808103 35.24919307 42.01957823 594.44148332 -555.04209123 262.49379132 Bk 39.08966180 36.40036436 43.62043342 -12510.82319800 -8657.99202379 9373.14713989 Bk 35.30997579 37.27109458 42.96206842 -5953.38099582 -3378.46101229 -1288.57999970 Bk 36.85129234 38.26268817 43.47096245 5245.98625897 3022.35497113 2447.69672279 Bk 40.56823341 35.21629649 39.86633466 -28514.61242862 -13864.70771571 -39464.26752884 Bk 41.49064863 35.66509785 41.14317133 -209013.06859127 168224.58776601 -174953.15010644 Bk 42.26103125 37.93524057 39.66855301 46522.71801273 -57947.80826825 116143.53120759 Bk 43.68409623 39.05566334 41.30609321 4160.94088699 -1498.78716146 -5417.78470286 Bk 42.43392670 35.05174239 41.99410732 237520.90625487 -154591.74561454 214222.12377458 Bk 43.45214099 36.68893893 43.58893743 80.25655730 89.49651371 112.24036686 Bk 40.34060396 37.26575797 42.71021306 12607.84800601 8643.03080050 -9138.06111670 Bk 41.72477271 39.10901071 43.81906421 -370200.20476614 -118513.88569617 363291.05435953 Bk 34.94693598 40.01257752 39.81113389 -1305.60005580 1366.69298711 1686.84716232 Bk 36.36959584 41.67411926 41.55963233 148020.82247425 -123844.96877485 -15999.99775488 Bk 37.68669049 42.53287141 39.87327470 -327033.17702133 587774.60099059 190757.37753984 Bk 38.62053342 43.53513691 41.26428095 -188001.57703526 188246.36755005 -225425.71422287 Bk 37.90003317 39.78756067 42.26882342 -2091036.15003190 906923.39584718 312895.50591774 Bk 38.95283962 41.46259403 44.16305793 -30.88255170 -117.62687496 259.96000159 Bk 35.23869140 42.61708135 41.68451830 -148439.75593903 123747.09946191 16400.72238046 Bk 36.73968442 43.91259305 43.91268760 5.25185215 4.68060497 7.96223173 Bk 39.11540341 39.79764531 39.75298880 5807.44266195 -11352.50546786 1488.35977910 Bk 41.91058833 40.47907874 40.90438978 -582.82562571 425.05800888 -314.42930014 Bk 42.65371059 42.77213696 39.72459021 282597.34588724 -116355.72529988 426788.06133871 Bk 43.91769229 42.96923476 41.13245249 4978.94794490 2502.59964054 7777.00620518 Bk 42.67649469 39.41388204 42.88539138 366726.46766456 119647.45782226 -357313.19626316 Bk 43.19470236 41.79056663 43.74526850 72.76763420 -9.66848083 54.61816869 Bk 39.38666900 42.78828114 42.18572742 190489.75918099 -185482.48720357 228816.95207213 Bk 42.10671432 44.10044796 43.54603793 -54.45075451 109.65816904 -10.39622719