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=18.179495185559396 stress="-2.519864561342243 -0.07439674794966464 0.0836958876249186 -0.07439674794966464 -2.4971296497865687 -0.1863986687215497 0.0836958876249186 -0.1863986687215497 -3.086485869065677" free_energy=18.179495185559396 pbc="T F T" Fe 0.03848316 0.19178619 0.17895518 12.89923130 -24.81318163 -13.62909882 Fe 1.79140871 1.61455359 0.03253581 -18.48761082 22.30653473 -3.39305702 Fe 1.64904689 0.10609294 1.46603997 -18.09863848 -27.02917676 7.70982616 Fe -0.19401975 1.32157598 1.51361598 23.68701800 29.53582366 9.31232968