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=-0.16589502204362416 stress="-33.530055777316655 -0.44125833303967976 26.707514072018906 -0.44125833303967976 -13.745038531032005 4.711493840064957 26.707514072018906 4.711493840064957 -41.12642256346131" pbc="F F F" Fe 0.27500470 -0.13833825 -0.09601473 -2.26935671 -3.43881293 -2.48407962 Fe 1.28802619 1.68051743 0.18584377 26.70185263 7.19550493 -31.28911300 Fe 1.60214968 0.19581920 1.60474345 4.76401084 -5.15420807 3.88108736 Fe 0.26959405 1.56451915 1.35402479 -29.19650677 1.39751607 29.89210525