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=1.7007063154272295 stress="-0.9598523501536367 0.04179850756549574 -0.11337537264542769 0.04179850756549574 -2.128425600373736 -1.1462602186199782 -0.11337537264542769 -1.1462602186199782 -2.2537103151554665" free_energy=1.7007063154272295 pbc="F T T" Fe 0.12968218 0.21980528 0.29977655 -9.37236966 -36.16176416 -38.04566226 Fe 1.68543805 1.45460942 0.07327937 6.46062088 6.36410207 -6.61340927 Fe 1.69989723 0.12961200 1.37425859 10.23193079 -7.68113652 7.85696337 Fe 0.15720406 1.26564846 1.38507600 -7.32018202 37.47879861 36.80210816