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=-1.922454970882832 stress="-20.92886162166618 2.6295387382131357 3.1967249781114306 2.6295387382131357 -26.63230970711539 11.783349229761019 3.1967249781114306 11.783349229761019 -28.13328304596545" pbc="F F F" Fe -0.20130994 0.11041876 -0.23264389 -4.72699810 -4.82706006 -3.93125263 Fe 1.33533445 1.24148635 0.08611608 8.60196392 16.68125367 -19.45523374 Fe 1.53369179 0.02598936 1.22329650 5.31888749 -16.75607499 14.54757128 Fe -0.03624564 1.40583543 1.25559716 -9.19385332 4.90188138 8.83891510