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=-5.195433528651406 stress="-1.1891028147138725 -0.15949905769625294 0.07398259255059131 -0.15949905769625294 -1.0031666697623502 -0.15781993872891725 0.07398259255059131 -0.15781993872891725 -1.2178841609814999" free_energy=-5.195433528651406 pbc="T F T" Fe 0.17895518 0.29140871 0.11455359 -3.91688943 -12.78144875 -7.63921891 Fe 1.31100439 1.64904689 2.78091226 6.05273538 8.67187320 -1.17868321 Fe 1.60060722 0.01361598 1.35198705 0.77073006 -6.50797858 3.45492687 Fe 2.97567541 1.56329927 1.27872262 -2.90657602 10.61755413 5.36297525