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=-6.481676452157118 stress="-0.46605336064643527 -0.01681660419094878 0.09234700249260641 -0.01681660419094878 -0.5392805418996061 -0.010846473405905178 0.09234700249260641 -0.010846473405905178 -0.7050781635005183" free_energy=-6.481676452157118 pbc="T T F" Fe -0.21197381 0.22277084 0.18584377 6.89358068 -1.55065226 -8.68766605 Fe 1.68362810 1.65356579 0.14685009 -4.11232393 1.76122190 -6.04313925 Fe 1.76959405 0.17626233 1.35402479 -4.77233422 -2.24254442 9.40190651 Fe 0.20996341 1.49207130 1.65300231 1.99107746 2.03197477 5.32889878