4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.273025434989512 stress="-8.27660254736023 -3.0811854584852956 -2.686033522829329 -3.0811854584852956 -26.25355309974705 -21.48592162536436 -2.686033522829329 -21.48592162536436 -27.171835458135515" pbc="F F F" Fe -0.22958397 0.19178619 0.17895518 -4.65389443 -20.64410278 -21.35259739 Fe 1.64339576 1.59022900 0.09583508 2.49637180 1.35939246 -2.04913690 Fe 1.58650132 -0.12834868 1.53990620 1.96171645 -1.99787558 1.20094558 Fe -0.03396003 1.30598025 1.32157598 0.19580617 21.28258589 22.20078871