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=-7.970715467961264 stress="-4.892108090262239 -0.6372392654873125 1.4847628647731481 -0.6372392654873125 -5.892884379324098 -0.3904831741324277 1.4847628647731481 -0.3904831741324277 -6.2223848401877735" pbc="F F F" Fe -0.07700850 -0.09301634 0.18107110 -1.25933612 -2.35343782 -1.56349808 Fe 1.32825321 1.63102478 0.09995250 2.16198159 2.00066689 -2.79206041 Fe 1.76120756 0.01193751 1.52148928 1.05252165 -1.21810670 1.25706481 Fe -0.03568003 1.54396501 1.57236142 -1.95516713 1.57087763 3.09849368