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=1.142075446382867 stress="-1.0791366423807562 -0.2913229340223689 0.4601297524839086 -0.2913229340223689 -2.1241542599980705 0.592086017951591 0.4601297524839086 0.592086017951591 -1.9810859693397478" pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -10.40081608 -3.84828254 -4.50809652 Fe 1.32183498 1.71219253 -0.07514625 7.90990036 -20.41732333 17.19914960 Fe 1.62990665 -0.21779550 1.78278197 13.28252300 21.81226590 -21.28692677 Fe 0.06210000 1.63362859 1.32702941 -10.79160728 2.45333997 8.59587369