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=3.2585587377627276 stress="-1.5729417305978888 -0.285762424948236 0.10684404324951999 -0.285762424948236 -2.0973964622286676 0.28894961105380773 0.10684404324951999 0.28894961105380773 -1.7097971454647602" free_energy=3.2585587377627276 pbc="F T F" Fe 0.29768454 2.98273691 0.17089611 -18.67883073 -9.53944021 -13.68172463 Fe 1.47011124 1.20220318 0.26235339 24.72870615 14.92333532 -19.46156416 Fe 1.34838096 0.21005355 1.71211731 12.79540379 -9.30251654 18.99412256 Fe 0.29594673 1.65710459 1.49042854 -18.84527921 3.91862144 14.14916623