64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=181.298379346 stress="-0.6727349082068761 -0.13914815366249225 -0.07890644781578932 -0.13914815366249225 -0.974864718519595 0.037976159075269834 -0.07890644781578932 0.037976159075269834 -1.0594277586275418" pbc="F F F" Fe 0.14118769 -0.24560541 0.37764181 -4.64432021 -5.33567603 -1.45882837 Fe 1.34901057 1.05539633 0.82066595 -8.67078421 -3.88974081 4.14742771 Fe 2.65612250 2.07090056 0.42082439 13.63964680 10.23577086 -3.21381973 Fe 4.28349578 3.50991741 1.69694960 -29.33662281 107.07676878 -77.70310966 Fe 2.07821758 0.21931066 2.62754235 0.08185075 0.09567912 2.17787373 Fe 3.60983977 2.01069566 3.43357398 -21.93183122 -34.45703283 16.66464638 Fe 0.05158906 2.45332465 2.89226263 -9.94477782 -20.47473069 -9.69566362 Fe 0.77183196 3.75456882 3.57629515 12.31319904 18.21002407 9.07084856 Fe 4.28641188 0.33254605 -0.17811681 -4.42881565 -2.18365251 -1.60323420 Fe 5.78525106 1.20247923 0.57507522 3.77902830 2.56814975 2.71339007 Fe 7.83689006 2.72392316 0.42988418 -31.29345102 -58.12949530 -68.79184307 Fe 8.28339665 3.56324138 1.42558779 33.01928574 55.70559544 62.02521053 Fe 7.34008610 0.06546839 2.91567906 -1.04355839 0.69023977 0.56234973 Fe 9.02491499 1.03056328 4.18794788 0.38780810 -0.43870023 -0.26811934 Fe 4.57238334 2.48343260 2.44817122 73.03498316 -84.89599422 33.23055082 Fe 6.42385234 3.51294618 4.28290699 7.99557858 -7.21991925 -0.55920170 Fe -0.23006100 5.34099964 0.24841722 -1.15101337 -0.52141979 -1.72809151 Fe 0.85555600 5.80454502 1.83494204 -28.28340773 1.65302839 -10.87060803 Fe 2.86388168 7.73146165 0.03155985 -1.64981316 -2.01075221 -0.37888744 Fe 4.05723793 8.80149275 1.20661443 -1.27790167 8.55385548 -4.59022211 Fe 2.31897113 5.73262702 2.44671440 26.38949180 -2.66304851 7.42713523 Fe 3.52774373 6.16150606 3.83172766 44.59210821 -105.65972011 -33.56291294 Fe 0.07192230 7.77617634 2.62973128 -41.98238930 -28.70950346 -25.17822352 Fe 1.16084043 8.53067466 3.29010668 42.14060974 28.34589628 25.14840849 Fe 5.68745496 5.42926566 -0.08566989 -51.04342222 -93.63885732 -97.30048718 Fe 6.14108403 6.26276500 0.78569237 48.97996378 92.76928249 98.94101825 Fe 7.94240165 6.99938506 -0.03702076 1.92678789 1.15030584 -0.22964650 Fe 8.61727818 8.90893150 1.46347720 -0.54528178 -0.89945141 -0.03908272 Fe 7.78733280 4.16155331 3.09293665 0.55673191 2.55070047 4.10448474 Fe 8.30173059 6.18050803 3.69566869 -0.09751113 1.54048826 0.78257379 Fe 4.57099732 7.46564606 2.28755008 3.54297881 -7.10445919 5.23423819 Fe 6.70906900 8.33604388 4.21914856 -100.60196423 189.98252401 -295.82291317 Fe -0.01439449 -0.03755341 5.05970531 0.92432602 0.65317587 -0.51369503 Fe 1.44358026 1.72263460 5.77701859 -2.81670122 -2.14253740 2.12076780 Fe 2.71931218 2.53784058 4.60619606 -18.48613204 14.37966319 24.18746831 Fe 3.36367604 3.67006226 6.59870041 9.47798215 -10.29149155 -9.33060433 Fe 2.54893802 -0.23834397 7.22635716 -0.36466345 0.29186924 -1.21908833 Fe 4.05853469 0.52013391 8.62618956 1.04744455 0.86962451 -0.25421292 Fe 0.34038254 2.81678346 7.47768483 -2.59572518 -1.79011585 -1.49111004 Fe 1.66079453 4.09574261 8.12291532 -150.45823245 -140.74253103 148.41255032 Fe 5.14507261 -0.29028563 5.21187677 0.43668916 1.01990618 0.11482499 Fe 7.15614020 1.02356247 5.95762449 -1.83472890 3.01282126 -7.59532772 Fe 8.00705341 2.67572058 5.28042537 -47.00711543 -60.25985574 -51.91613292 Fe 8.72690938 3.57439315 6.03420843 52.09290828 60.62961262 51.12147512 Fe 7.15133654 0.02746708 7.45917063 -7.74096885 -10.00614253 1.12821399 Fe 8.29576454 0.79746187 8.58067251 6.52277537 5.18371664 6.41914947 Fe 5.28586327 3.25054268 7.62612059 -14.83766161 -0.49743160 -10.18136483 Fe 6.68455344 3.25930964 8.56941652 15.79030939 -0.71975141 10.57709977 Fe -0.07911833 5.01321370 5.10483511 -3.18162127 -2.16818218 -1.98147461 Fe 0.86508504 6.06063805 6.37433590 51.66165371 -37.48277366 -49.28448743 Fe 3.07471359 7.33426731 4.26004810 -45.20952262 100.84342269 32.63780484 Fe 3.78716921 8.34890057 5.56655574 4.68140856 5.03752730 7.17883254 Fe 2.35028534 4.74564588 7.46013118 142.86151050 154.10808951 -137.82244267 Fe 4.13031845 6.26008001 8.14994406 -2.00496155 -2.31867036 0.55016924 Fe 0.02935600 6.76489367 7.26005821 -48.18981842 41.32767918 52.68775452 Fe 1.63937990 8.47883680 8.82111601 -0.06938326 -1.08663052 -0.86979231 Fe 4.87928888 4.23728648 4.53541336 -13.17295880 6.52531135 2.79982378 Fe 6.28796723 6.23402023 6.35182066 -2.08620910 0.13324172 -3.72923555 Fe 7.00053342 7.78144579 5.08017368 98.50430524 -189.00193666 292.38516864 Fe 8.41128559 8.06098130 6.50658809 1.10003711 -0.48107457 2.51850132 Fe 7.20834066 4.68556753 6.81031613 1.51227214 -3.34858467 2.50498952 Fe 8.83218404 6.45161436 8.78172629 -1.01234778 0.01686016 -1.48940873 Fe 5.39077222 7.57487561 7.36485401 -0.12117824 5.81279908 1.46623775 Fe 6.20023361 8.95591791 9.08070080 0.12312130 -0.40376589 -0.36771592