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=-0.503846327267746 stress="-1.1732528906351507 -0.2766192054670191 0.04246148537686093 -0.2766192054670191 -1.6338757050512216 -0.3582592521990573 0.04246148537686093 -0.3582592521990573 -1.1151733143260207" free_energy=-0.503846327267746 pbc="F T F" Fe 0.29977655 0.18543805 0.07327937 -8.71375586 -12.66654838 -16.34795843 Fe 1.69989723 1.34717085 0.15720406 15.35972140 5.10318769 -5.93154044 Fe 1.26564846 2.88507600 1.79768454 8.50953357 1.18603050 9.16171020 Fe 0.17089611 1.47011124 1.20220318 -15.15549911 6.37733018 13.11778867