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=8.622385701284793 stress="-3.093691995546664 0.19210539789740894 -0.014104787736666022 0.19210539789740894 -2.943824307257481 -0.2055096168507628 -0.014104787736666022 -0.2055096168507628 -2.442787356935508" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 23.22331930 -37.70535985 -25.42102191 Fe 1.77219963 1.43381326 0.13132919 -29.00209279 29.62176960 -19.87537267 Fe 1.75978669 0.18365717 1.70288723 -24.67033871 -26.00505354 20.71760111 Fe 0.08343331 1.29585403 1.44809454 30.44911220 34.08864378 24.57879347