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=-0.9525666466657265 stress="-1.4436504114234736 0.058328793349153495 0.006299927898726757 0.058328793349153495 -1.403944397309978 -0.04347756921552125 0.006299927898726757 -0.04347756921552125 -1.0558612337726083" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.32893180 -17.52480962 -10.26505518 Fe 1.77219963 1.43381326 0.13132919 -11.48958468 14.68915505 -9.29483615 Fe 1.75978669 0.18365717 1.70288723 -10.34766100 -12.83918985 9.16747766 Fe 0.08343331 1.29585403 1.44809454 12.50831388 15.67484442 10.39241367