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=-3.36596313473 stress="-11.56553852589381 -3.984836599925399 -0.16832217024552626 -3.984836599925399 -7.7927294534857525 0.19691233852077106 -0.16832217024552626 0.19691233852077106 -5.594761247277015" pbc="F F F" Cr 0.19989723 0.12961200 -0.12574141 -19.82778891 -14.66453107 -6.81153063 Fe 1.65720406 1.26564846 -0.11492400 20.32351342 14.55248832 -6.21360283 Fe 1.51524340 -0.01726309 1.36065667 6.26189913 -6.02094819 7.42861785 Cr 0.17089611 1.47011124 1.20220318 -6.75762365 6.13299094 5.59651561