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=-14.397324442434684 stress="-1.2609001540328777 0.07631625505192682 -0.03642811339114403 0.07631625505192682 -1.2658665239920885 -0.0470225911354937 -0.03642811339114403 -0.0470225911354937 -0.3083755665768751" free_energy=-14.397324442434684 pbc="T T F" C 0.04270730 0.28531325 0.12564131 4.57481052 -5.29792005 -3.36221883 C 1.74667518 1.45603538 0.01898074 -5.12512376 3.85084890 -3.11298552 Fe 1.66613401 0.10869014 1.37889363 -7.33062771 -2.70591202 2.70398987 Fe 0.07165922 1.59020594 1.34681994 7.88094095 4.15298317 3.77121448