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=20.588334529124488 stress="-51.2536901816312 5.57493859769403 -11.326786204748544 5.57493859769403 -43.043159292876254 -5.712305485410688 -11.326786204748544 -5.712305485410688 -54.828185299370226" pbc="F F F" Fe 0.19178619 0.17895518 0.29140871 -22.31678990 -19.01959052 -36.21756144 Fe 1.61455359 1.53253581 0.14904689 10.73161683 13.37949440 -8.71124400 Fe 1.28091226 0.10609294 1.46603997 27.42819593 -15.21077882 27.83495097 Fe -0.19401975 1.32157598 1.51361598 -15.84302287 20.85087494 17.09385448