4000 Lattice="36.4135646254748 0.0 0.0 0.0 36.4135646254748 0.0 0.0 0.0 36.4135646254748" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54133.84742247902 stress="-0.0035187681482959344 -3.056437413921186e-05 -8.636667350835868e-07 -3.056437413921186e-05 -0.0034969882819138143 1.8267505939736998e-05 -8.636667350835868e-07 1.8267505939736998e-05 -0.0035118568625286803" pbc="F F F" Fe 0.01186600 0.01138798 0.01013741 0.71788841 0.68308076 0.67495127 Fe 1.84309978 1.82489405 0.01875600 -0.35514589 -0.25051063 0.13034458 Fe 1.82256613 0.01111405 1.81441476 -0.33912491 0.15215885 -0.27914227 Fe 0.01159095 1.78457951 1.80238914 0.15131300 -0.13667509 -0.21438195 Fe 3.60723264 0.01794965 0.01253452 0.15212662 0.51832620 0.54273783 Fe 5.47366555 1.84845522 0.05731899 -0.10189762 -0.44448259 -0.16428804 Fe 5.48140638 0.03691166 1.84548390 -0.16902086 -0.06827519 -0.51569849 Fe 3.66119623 1.85428234 1.85382553 -0.14115324 -0.50327800 -0.51723268 Fe 7.30103312 0.03253891 0.03620954 -0.12976433 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