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=-4.199357468843764 stress="-1.2625085213603195 -0.1787077520569515 0.09766232087203422 -0.1787077520569515 -1.482448762300469 -0.11122273284229353 0.09766232087203422 -0.11122273284229353 -1.560266204596924" free_energy=-4.199357468843764 pbc="F T T" Fe 0.19989723 0.12961200 2.87425859 -12.75896909 -10.30227260 -5.66219078 Fe 1.65720406 1.26564846 2.88507600 13.84739202 10.64197259 -3.22580718 Fe 1.79768454 2.98273691 1.36065667 8.52985422 -6.57329570 1.42727218 Fe 0.17089611 1.47011124 1.20220318 -9.61827716 6.23359572 7.46072577