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=-6.47822649388463 stress="-0.43604321130139995 0.020734790620759263 0.02586110159144844 0.020734790620759263 -0.5309120076900165 0.12590879518714848 0.02586110159144844 0.12590879518714848 -0.24126922745928217" free_energy=-6.47822649388463 pbc="F F T" Fe 0.05835534 0.20070203 2.70342959 -4.51130656 -4.69047616 1.30153506 Fe 1.40085166 1.49793547 0.28187239 4.36835876 5.29976471 -1.74622905 Fe 1.51001192 0.10170120 1.37793365 3.92058130 -5.10858599 1.10764300 Fe 0.00082602 1.74624097 1.64302402 -3.77763350 4.49929744 -0.66294901