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=-0.5330185535315701 stress="-32.538279122751455 -2.4338887627698287 -20.83965410569526 -2.4338887627698287 -17.61041222853261 0.3916750539997267 -20.83965410569526 0.3916750539997267 -34.01207788159793" pbc="F F F" Fe 0.20947124 -0.14487149 0.05280714 -24.17569978 -7.07169010 -23.06920775 Fe 1.41333883 1.34655491 -0.12758765 4.30251467 7.83876801 -4.16855833 Fe 1.32230844 -0.08950840 1.22286420 23.66222646 -5.21110047 24.01953688 Fe -0.06141927 1.25205420 1.65488783 -3.78904134 4.44402256 3.21822920