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=-6.48768613234739 stress="-17.377005195041384 1.3782978584037473 10.043865570385723 1.3782978584037473 -12.892149780535155 3.8639615675110264 10.043865570385723 3.8639615675110264 -19.857833035797128" pbc="F F F" Fe -0.06786244 -0.04210664 -0.04844391 -1.06250325 -2.78013202 -2.07934447 Fe 1.27041603 1.69178619 0.17895518 7.78054625 6.46673860 -11.65316595 Fe 1.79140871 0.11455359 1.46999024 5.12778232 -5.62174268 1.56640625 Fe 0.14904689 1.28091226 1.60609294 -11.84582532 1.93513610 12.16610416