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=380.12042184595117 stress="-218.80259808659335 2.0758933491349185 -1.539716120028504 2.0758933491349185 -219.96609975122004 -1.694875482393577 -1.539716120028504 -1.694875482393577 -220.80717682488947" free_energy=380.12042184595117 pbc="T T T" Fe 0.24624097 0.14302402 -0.14501107 -50.26974368 -17.43945976 -70.53813781 Fe 1.61042859 1.70947124 -0.14487149 -8.67113437 -68.80435371 -84.76959257 Fe 1.55280714 -0.08666117 1.06941911 6.52253952 33.67689309 138.52157492 Fe -0.12758765 1.32230844 1.41049160 52.41833853 52.56692038 16.78615546