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=-0.9495843868561816 stress="-1.3339194832789434 0.28101409656792686 -0.15203656995305706 0.28101409656792686 -1.072997796850167 -0.031896459778605585 -0.15203656995305706 -0.031896459778605585 -1.619980829442663" free_energy=-0.9495843868561816 pbc="F F T" Fe 0.26235339 0.21005355 0.21211731 -9.35043003 -13.97740497 -6.84851686 Fe 1.44968690 1.79594673 0.21042663 5.71526490 7.71341651 -1.48435089 Fe 1.49042854 0.24122900 1.52201293 20.75427416 -10.62893197 5.31490917 Fe 0.04376171 1.22051529 1.69273990 -17.11910902 16.89292043 3.01795858