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=0.5355691058794373 stress="-1.3248086964555936 -0.2710098365145814 0.36085324216209236 -0.2710098365145814 -2.155609168679432 0.4099744751774988 0.36085324216209236 0.4099744751774988 -1.9314225543570835" free_energy=0.5355691058794373 pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -12.52769540 0.03635284 -4.89239031 Fe 1.32183498 1.71219253 -0.07514625 12.26960279 -14.99606109 11.20068717 Fe 1.62990665 -0.21779550 1.78278197 14.22582968 16.71287353 -14.71852686 Fe 0.06210000 1.70397289 1.32702941 -13.96773707 -1.75316528 8.41023000