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=-1.9701015549275682 stress="-18.351643101941214 1.4781674495288852 9.611836672692835 1.4781674495288852 -13.70647788193844 2.294548623596471 9.611836672692835 2.294548623596471 -20.93314333747586" pbc="F F F" Fe 0.27500470 -0.13833825 -0.09601473 -2.31995960 -3.54191659 -2.06018458 Fe 1.28802619 1.72277084 0.18584377 12.16664914 5.16889079 -14.45449790 Fe 1.68362810 0.19581920 1.64685009 4.22428938 -4.75460114 3.62101289 Fe 0.26959405 1.67626233 1.35402479 -14.07097892 3.12762694 12.89366959