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=2.4083392728566198 stress="-2.8205086573943596 0.15337493549915607 0.26412522470404187 0.15337493549915607 -1.6833147109223552 -0.0014265391543082043 0.26412522470404187 -0.0014265391543082043 -2.1278899649936074" pbc="T F T" Fe -0.01036258 0.01361598 -0.14801295 -19.13437640 -12.98076544 25.39984224 Fe 1.47567541 1.56329927 -0.06254558 11.96660478 12.89632526 20.94739737 Fe 1.27846858 0.09073906 1.77219963 22.25184287 -16.44024388 -27.62138093 Fe 0.13670048 1.63132919 1.75978669 -15.08407124 16.52468406 -18.72585868