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=0.353252115169588 stress="-34.49881859954942 18.627357253747615 5.720519435362384 18.627357253747615 -35.98838227084928 2.1597681646867386 5.720519435362384 2.1597681646867386 -22.964504754438245" pbc="F F F" Fe -0.29821528 0.29874826 -0.22709028 -4.38376971 -3.67969141 -5.17775700 Fe 1.38090187 1.36136659 0.05835534 9.85924204 5.69963918 -10.76703778 Fe 1.24645637 -0.01806569 1.42001865 19.77118658 -26.00030541 4.21080179 Fe 0.20070203 1.20342959 1.40085166 -25.24665891 23.98035764 11.73399299