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=-0.6919486679973855 stress="-2.9093325333095903 0.3022395789479006 -0.04438237462548796 0.3022395789479006 -2.786718138417856 0.8106865516019278 -0.04438237462548796 0.8106865516019278 -3.027009481912558" free_energy=-0.6919486679973855 pbc="T F T" Fe 0.05791531 0.08501927 0.06603388 -9.18805063 -24.23558642 6.54246276 Fe 1.50693356 1.66501753 0.22580078 3.54714250 19.83822259 -5.74420539 Fe 1.42866320 0.18883157 1.49955875 17.03483812 -30.09320671 9.30887522 Fe 0.04313966 1.44832183 1.75980354 -11.39392999 34.49057053 -10.10713259