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=-1.6752493407723796 stress="-1.9413309225496707 0.35850506932602505 -0.4228402047746413 0.35850506932602505 -1.8246553104678467 -0.19929534309909352 -0.4228402047746413 -0.19929534309909352 -1.8209214210816091" pbc="T T T" Fe -0.14459490 0.11115480 -0.01275680 15.99556559 -16.71299322 -1.43985535 Fe 1.70960170 1.31143450 0.04092907 -26.85720033 16.06950642 -9.94926539 Fe 1.35333724 0.05786860 1.64041416 -3.47770721 -4.92454133 -2.56494756 Fe -0.22187219 1.51878885 1.32834452 14.33934196 5.56802813 13.95406830