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=3.3782987244487783 stress="-0.0009245389053842666 2.7588441955117184e-05 -0.0008895066054118211 2.7588441955117184e-05 -0.0010593096441894824 -0.00018565209913379887 -0.0008895066054118211 -0.00018565209913379887 -0.001321187407956712" free_energy=3.3782987244487783 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -2.88369953 -2.86805996 -3.91303771 Fe 36.15142137 35.93572417 35.98055861 -11.05140905 -31.79634198 18.60521235 Fe 36.67756578 37.22516294 35.46095830 13.34053298 35.03243253 -13.57624762 Fe 37.98736736 38.99745172 36.33024966 -1.22958746 -2.29705409 -7.30488208 Fe 37.79428433 35.24064375 37.76200555 -5.56111613 -2.88251519 -3.78789077 Fe 38.98053443 36.09759444 38.74185685 5.19958954 4.61925544 4.27630112 Fe 34.90871710 37.48069883 37.61819962 1.28622575 0.37706292 -0.06996855 Fe 36.55604684 39.07636534 38.99475015 -41.85063658 96.40571481 -55.07802686 Fe 40.94546432 35.26499873 35.04153483 -87.15710995 -68.53721728 -143.36524627 Fe 41.55012441 35.74045746 36.03426861 84.95177917 64.76315010 145.72760661 Fe 42.32316245 37.26153012 35.30145827 0.93165957 3.91212478 -1.98854568 Fe 43.42712388 38.91385061 36.22088890 0.37653381 -0.45783580 -1.27676023 Fe 42.73578848 35.79150318 38.24752218 -56.06143599 -14.66601124 -35.34868391 Fe 43.92497022 36.06567967 38.95948504 68.99129784 -4.15610848 22.05586204 Fe 40.03690210 37.71350978 37.13730575 -4.88654552 -4.60579799 -9.61439027 Fe 40.80220443 38.42873123 38.46341174 6.57051977 3.33598099 6.85017465 Fe 34.82624793 39.49365118 35.42673195 -6.62041505 -7.75424638 -6.08485033 Fe 35.82447290 40.48365875 36.32972720 8.04898015 6.82144336 7.00207754 Fe 37.04272155 42.62085647 34.71585688 -0.06232215 -0.54276558 0.73417027 Fe 38.61643991 43.32327578 36.40123177 -46.98121574 28.00792279 -31.08729625 Fe 38.28818839 39.60398937 37.96422878 -4.61110416 -9.21640967 2.90796663 Fe 39.18297782 40.94224761 38.32018597 8.15338321 11.28541490 3.52283517 Fe 35.76542829 42.36017393 38.00132959 0.37270487 -5.62352855 -2.67920649 Fe 35.55316969 44.00322643 38.77198524 -0.67997392 4.36694247 3.51055015 Fe 39.93977516 40.30385587 35.12891241 -0.87549855 -0.31171983 0.39700555 Fe 41.36106461 41.11123760 36.57455603 0.67189273 0.68888117 0.51511641 Fe 41.88067518 43.00165966 35.05288706 -1.70232401 -0.45980382 -0.03061886 Fe 43.81264009 43.18215902 35.91806716 0.33166901 -0.70061848 0.91762261 Fe 42.78147506 40.01841245 37.77341645 -0.69300610 -0.68675369 1.88501616 Fe 43.57808511 41.50549627 38.97718991 1.25880957 -0.96483287 0.86621159 Fe 39.66448343 42.68403127 37.11226018 47.15227564 -27.06866868 30.82535231 Fe 41.29254616 43.65043916 39.07488203 -40.69496386 27.01676593 -25.17351503 Fe 35.27699059 35.21050145 39.62953716 -4.19864173 -2.94761751 -11.18809906 Fe 35.94678843 35.72658758 41.06886405 4.69304720 4.92706500 9.56400899 Fe 37.00297454 37.99791377 39.62151619 39.42154214 -96.56872304 55.94050626 Fe 38.64802863 38.07540258 41.48895769 -0.05648142 -0.47412783 -0.18538220 Fe 37.18748376 34.98144645 42.64172697 1.52818189 0.09005761 0.67560022 Fe 39.46083802 35.63682131 43.89947205 -2.43279015 -6.37316644 2.74996794 Fe 34.99582370 38.04168674 42.43055625 1.22649238 0.12564217 -0.97948355 Fe 36.65722822 38.86395605 43.99895428 -1.80737672 -3.12747327 5.90676939 Fe 39.36999540 35.17369092 40.82305440 -0.63319484 0.43598944 1.28611042 Fe 41.48837336 36.00831489 41.43404765 -17.87585976 31.49978398 -16.09102485 Fe 43.03275711 37.13385079 39.66573727 -14.16458562 19.20165478 12.63091850 Fe 43.58393954 38.40855627 41.35140552 -1.77406111 0.65724377 1.69182397 Fe 42.20384740 34.85081933 42.03810700 18.56114695 -29.87158787 16.18449819 Fe 43.93198955 36.32292046 43.95586308 -0.62611084 0.01785305 -0.86409670 Fe 40.01031963 37.06828052 43.02356789 -7.58783041 -21.66032500 -11.82502499 Fe 40.52035194 38.44622535 43.45042604 9.61964324 28.46712396 5.69376205 Fe 34.65747868 39.58933233 40.40322283 0.69421092 0.08284007 0.40257157 Fe 35.59473158 42.04704731 40.65653406 1.02066600 0.16634581 0.28459431 Fe 37.52734501 42.69262016 39.39246191 -77.49179932 -24.01831140 -115.42229708 Fe 38.25121736 42.91196948 40.44518862 78.86206941 23.40651974 115.45321712 Fe 37.24767421 39.65425516 42.53554739 0.54779424 2.48881033 -7.46146621 Fe 38.75553025 40.99180786 43.33433472 1.39671474 -0.26790378 0.09584620 Fe 34.69480292 43.18717081 42.48215882 0.26009564 0.11011554 -0.72410322 Fe 36.85171399 43.99595574 43.67278496 -0.21314941 -0.92281714 -1.41139822 Fe 39.85798705 39.40315209 39.92208795 -1.06290602 -0.08758929 3.31852794 Fe 40.89974943 41.22892384 41.12165250 19.08410571 -34.05673046 -41.17282441 Fe 42.34497277 42.92270812 39.73257588 38.88106110 -26.65737945 26.73073728 Fe 43.64260964 43.84306647 41.60697114 -0.87038747 -1.16986554 0.58624477 Fe 42.26459378 40.20201412 42.51948547 -1.13289175 3.11707541 -0.16924841 Fe 43.87725473 41.77735174 43.86983378 -1.18748148 0.37752632 -1.60727140 Fe 40.39757659 42.11536967 42.13716159 -17.27400978 33.93390043 40.74664868 Fe 41.49947850 43.65939049 43.93558996 0.55729640 -1.93873201 -1.06054776