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=0.41123895715759795 stress="-1.9016930148805649 0.0457168414201843 0.8395989759338135 0.0457168414201843 -1.6345756945741265 0.025171364933533117 0.8395989759338135 0.025171364933533117 -1.679462224775623" free_energy=0.41123895715759795 pbc="T T F" Fe 2.78802619 0.26125400 0.18584377 24.33677845 -2.75065149 -25.90763299 Fe 1.68362810 1.65356579 0.14685009 -5.45015235 4.16937252 -10.47104316 Fe 1.76959405 0.17626233 1.35402479 -16.14830185 -5.23263727 28.21652397 Fe 0.40174959 1.49207130 1.65300231 -2.73832425 3.81391623 8.16215218