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=1.116374275677376 stress="-1.8056035178138432 0.43525642263759357 -0.00238923531240835 0.43525642263759357 -2.3754971925581043 0.2266003462478681 -0.00238923531240835 0.2266003462478681 -2.1851561311508907" free_energy=1.116374275677376 pbc="T T T" Fe 2.85540510 0.11115480 0.11044915 9.43669282 -10.78527865 -2.22043858 Fe 1.70960170 1.31143450 2.71512922 -12.41312574 -3.44670428 11.12619668 Fe 1.49088986 2.54375720 1.64041416 -8.81209614 14.48769031 -8.77207678 Fe 2.77812781 1.38429096 1.32834452 11.78852906 -0.25570738 -0.13368132