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=0.5064277909651212 stress="-1.7831277226459084 -0.09153978848424672 -0.017497546362859412 -0.09153978848424672 -1.6237429589942303 -0.09070368462306291 -0.017497546362859412 -0.09070368462306291 -2.1349070781509454" free_energy=0.5064277909651212 pbc="T F T" Fe 0.03848316 0.19178619 0.17895518 8.00701590 -16.19529745 -9.90125058 Fe 1.79140871 1.61455359 0.09583508 -13.28088626 13.56690930 -5.24956096 Fe 1.64904689 0.10609294 1.46603997 -12.67711777 -17.74519269 5.92301834 Fe -0.19401975 1.32157598 1.51361598 17.95098813 20.37358084 9.22779320