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=-1.922454968711677 stress="-20.928864165145843 2.6295413941966697 3.1967235255860533 2.6295413941966697 -26.632310949125298 11.783349730892917 3.1967235255860533 11.783349730892917 -28.133281695392355" pbc="F F F" Fe -0.20130994 0.11041876 -0.23264389 -4.72699844 -4.82705949 -3.93125248 Fe 1.33533445 1.24148635 0.08611608 8.60196305 16.68125341 -19.45523279 Fe 1.53369179 0.02598936 1.22329650 5.31888984 -16.75607639 14.54757138 Fe -0.03624564 1.40583543 1.25559716 -9.19385445 4.90188247 8.83891389