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=1.1420754489838774 stress="-1.0791364665211165 -0.2913229013241179 0.46012954565911957 -0.2913229013241179 -2.1241544323521055 0.5920861550462262 0.46012954565911957 0.5920861550462262 -1.9810856431708643" pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -10.40081221 -3.84828389 -4.50810210 Fe 1.32183498 1.71219253 -0.07514625 7.90989847 -20.41732349 17.19915121 Fe 1.62990665 -0.21779550 1.78278197 13.28252109 21.81226561 -21.28692393 Fe 0.06210000 1.63362859 1.32702941 -10.79160736 2.45334178 8.59587483