32 Lattice="51.52063179016113 0.0 0.0 0.0 51.52063179016113 0.0 0.0 0.0 51.52063179016113" Properties=species:S:1:pos:R:3:forces:R:3 energy=-95.74064604963645 stress="2.715484739568132e-05 2.152924703011882e-05 -5.151057399970341e-05 2.152924703011882e-05 -1.2605923635723008e-05 -3.3607152435153616e-05 -5.151057399970341e-05 -3.3607152435153616e-05 -3.947002810806061e-06" pbc="F F F" Fe 25.63982014 25.88102139 25.87401465 0.18429650 -0.23355021 -0.66706228 Fe 27.77500654 27.44320055 25.62559520 -1.02691423 1.19536891 1.15905906 Fe 27.42391842 25.62289736 27.48676401 0.43130732 0.73300905 0.81326587 Fe 25.57542241 27.61599583 27.45729222 1.29825149 0.44781723 1.02807062 Fe 29.33768940 25.69590136 25.92914415 0.96913311 0.04658215 0.33216930 Fe 31.33458466 27.35755466 25.64823432 -1.10628645 0.74931590 1.08683357 Fe 31.10373875 25.94595826 27.75520826 0.51809402 -2.77438957 -3.63089033 Fe 29.59338444 27.76352113 27.72271354 -1.37468079 -1.73681106 -1.59104408 Fe 25.90650713 29.58724630 25.88762677 -0.56006431 -2.91632978 -2.73088110 Fe 27.77530797 31.08453443 25.88781782 -1.10851193 1.82345657 -1.98015372 Fe 27.63240776 29.40514985 27.43319133 -0.26173738 -1.85508337 2.39216984 Fe 25.72522703 31.07173643 27.40901848 0.31158288 2.36796095 2.27469956 Fe 29.60018284 29.58949034 26.00315649 -1.10833430 -2.75386489 -3.50751577 Fe 31.42447437 31.09621041 25.88452164 0.15019153 1.02729253 -0.25221826 Fe 31.09781047 29.52877181 27.57203844 3.17516433 -1.21293502 1.75973272 Fe 29.27867790 31.13169690 27.61168511 1.70469317 2.18148717 1.74562556 Fe 25.62191703 25.67339428 29.49311041 0.96313451 0.87246433 -0.41653079 Fe 27.71546883 27.41572894 29.18864758 -1.60718543 0.48064370 1.94673965 Fe 27.46806196 25.62643462 31.36251172 0.32765067 0.64374216 -1.15860747 Fe 25.69353585 27.38697635 31.35599947 1.08269700 0.91306196 -1.24124110 Fe 29.66719404 25.70516028 29.54980202 -1.74354673 0.29877287 1.03126350 Fe 31.48398365 27.37194273 29.26123380 -0.03894675 3.49921527 3.70417199 Fe 31.43343123 25.92938858 31.43466235 -0.64830022 0.51877421 -0.57790890 Fe 29.27023938 27.45536195 31.46450435 0.49240998 0.72487049 -1.52504861 Fe 25.71928199 29.59194708 29.29189017 0.94521015 -1.19478620 0.86085864 Fe 27.77716557 31.21776171 29.54861657 -2.37554217 0.39660406 -1.70909198 Fe 27.41884221 29.67601267 31.33282194 1.67228772 -4.60320094 -0.60231050 Fe 25.87167305 31.13624143 31.45819052 -1.68126679 1.87816567 -0.57418934 Fe 29.48079830 29.48597351 29.37003659 -0.48981250 -1.42095484 1.29439084 Fe 31.39423038 31.08020798 29.43004739 -0.64367828 0.49611874 -0.08519331 Fe 31.11262530 29.53237666 31.26107304 0.19639524 -1.59616599 -0.10678078 Fe 29.30313973 31.06495555 31.23142074 1.35230863 1.00334796 0.92761758