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=-5.01963496204 stress="-2.9719923240682857 -0.44089509786100484 -0.2972697708474629 -0.44089509786100484 -1.234189091555915 -0.33467676576474037 -0.2972697708474629 -0.33467676576474037 -2.308695282341989" pbc="F F F" Fe 0.08942344 -0.04293576 0.27559981 -8.05779039 -3.92818128 -5.23410609 Fe 1.21321713 1.71736445 -0.21395222 4.08345881 1.58832323 -4.19691195 Fe 1.70384132 -0.14292681 1.23214964 6.37217028 0.38856590 4.14767669 Fe 0.00041025 1.75551247 1.35444624 -2.39783870 1.95129216 5.28334135