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=-6.98408355492 stress="-0.39716259073927823 0.5698758792398675 0.3370099040601041 0.5698758792398675 -0.4369544710088861 0.2560517780046723 0.3370099040601041 0.2560517780046723 -0.1610528969448058" pbc="F F F" Fe -0.29134056 -0.13449789 -0.21197381 1.06110775 0.50830656 0.66263541 Fe 1.71484213 1.64359035 0.18362810 0.15090287 0.55377972 -1.56224768 Fe 1.69581920 0.14685009 1.68811563 1.96733994 -2.97788020 0.26376116 Fe 0.17626233 1.35402479 1.70996341 -3.17935056 1.91579392 0.63585111