32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.9133333897052 stress="-0.0029520342007307437 0.00021663351708111776 -0.00013974239410164785 0.00021663351708111776 -0.002910994895967543 -0.00013213844935661985 -0.00013974239410164785 -0.00013213844935661985 -0.003056951960918239" pbc="F F F" Fe 21.24624097 21.14302402 20.85498893 -7.97998583 -5.90786485 -6.69479124 Fe 22.61042859 22.42703010 20.85512851 1.83271075 9.44593137 -6.89209495 Fe 22.40822144 20.91333883 22.34655491 3.08689290 -6.44957933 5.32633287 Fe 20.87241235 22.32230844 22.41049160 -5.90640042 -6.46286255 1.28283652 Fe 23.72286420 20.93858073 20.75205420 6.30492746 -7.56155136 -4.89316908 Fe 25.55405931 22.82223879 20.91251100 3.49871064 -3.43807508 -3.14330346 Fe 25.61399773 21.11020402 22.64554524 2.21717818 -7.67300650 -2.46515180 Fe 24.02320567 22.25659173 22.35030549 -1.48112003 3.61685879 2.65485428 Fe 20.96097674 23.78219307 21.21813893 -13.38183805 2.94541655 -14.27266322 Fe 22.50838970 25.51044584 20.83096497 -5.84963228 4.70232504 -6.64776617 Fe 22.38201197 23.85834834 22.22002482 11.43510470 -0.78958045 10.23609936 Fe 20.77696427 25.41661558 22.45078468 -2.95494788 4.11087984 -0.08199662 Fe 24.22586561 24.29391194 20.72614529 -12.75799360 -17.30850387 -19.01911898 Fe 25.52103145 25.27761356 21.18220204 18.90170885 22.80226600 -10.17007292 Fe 25.39362841 24.23573857 22.52724172 7.50867844 -14.95858698 -5.42960392 Fe 23.77538150 25.20296332 22.16330407 -3.53585275 12.54650404 13.96297682 Fe 21.22083292 20.78984966 24.03111601 -6.45736300 -4.60110222 -1.28831838 Fe 22.42299150 22.40698366 24.18107110 1.85966010 10.14397551 -6.63631199 Fe 22.32825321 21.13102478 25.59995250 4.87108249 -14.73091266 10.27746518 Fe 21.26120756 22.51193751 25.75226748 -11.73278784 9.76014527 5.21981265 Fe 23.68483527 21.04396501 24.26510133 6.49300321 -7.80980811 -6.44678111 Fe 25.70379337 22.73854596 23.57645112 5.65579532 -2.89596391 8.09303938 Fe 25.28229695 21.02031036 25.44918011 7.44127504 -5.23873649 0.43501999 Fe 24.07347956 22.37970777 25.77711528 -1.49037216 9.06040586 4.42074670 Fe 20.87871118 23.63649551 23.73125112 -4.31866837 5.11996796 7.12217707 Fe 22.21824351 25.63616082 23.99539949 2.72405747 1.85628607 -4.67073462 Fe 22.62968218 24.21980528 25.79793676 2.05790257 -4.85841143 2.95359713 Fe 21.18543805 25.45460942 25.58611212 -6.89424536 2.56699508 3.52402704 Fe 24.19989723 24.12961200 23.87425859 -15.52708313 -9.59686922 4.68797830 Fe 25.65720406 25.26564846 23.88507600 10.49046115 19.78757278 4.37175269 Fe 25.79768454 24.18345031 25.36065667 3.02024542 -5.82470937 8.99739901 Fe 23.99947648 25.47011124 25.20220318 0.86889601 7.64059424 5.18576348