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=2.1011071987530565 stress="-1.927093281616313 0.47302165919749095 0.0003586483796943463 0.47302165919749095 -2.5530582264898496 0.257809963430035 0.0003586483796943463 0.257809963430035 -2.3391733386057654" free_energy=2.1011071987530565 pbc="T T T" Fe 2.85540510 0.11115480 0.11044915 9.79642410 -11.43446025 -2.26264625 Fe 1.70960170 1.31143450 2.71512922 -13.02307528 -4.07641369 11.91150340 Fe 1.49088986 2.54375720 1.64041416 -9.18000566 15.65929573 -9.41809475 Fe 2.77812781 1.38429096 1.32834452 12.40665684 -0.14842179 -0.23076239