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:Z:I:1:forces:R:3 energy=-4.41694682627 pbc="F T F" Fe -0.09481051 -0.17769156 -0.18978866 26 -5.98450582 -0.09618132 -2.93431096 Fe 1.22286420 1.31224209 -0.02980687 26 9.92487041 0.37974548 -16.40547992 Fe 1.65488783 -0.17295391 1.20245745 26 7.17030332 -0.42544926 4.45532163 Fe 0.35841318 1.31425730 1.48844065 26 -11.11066791 0.14188510 14.88446926