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=-5.808876045257401 stress="-0.5503765267621852 0.0013384404000636486 0.06840016279305115 0.0013384404000636486 -0.7546765033706976 0.2926998276647776 0.06840016279305115 0.2926998276647776 -0.6687247420621205" free_energy=-5.808876045257401 pbc="F F T" Fe 0.05835534 0.20070203 2.70342959 -5.92436750 -6.55260789 2.99365784 Fe 1.40085166 1.49793547 0.28187239 5.77149743 8.31479554 -4.28737041 Fe 1.51001192 0.10170120 1.37793365 4.71827082 -7.48754525 2.63943683 Fe 0.00082602 1.74624097 1.64302402 -4.56540075 5.72535760 -1.34572426