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=-1.6164366978999758 stress="-1.3285088091566069 -0.1500039571075267 0.7734903545386023 -0.1500039571075267 -0.922542473097425 0.10423933144298535 0.7734903545386023 0.10423933144298535 -1.5732485455322878" free_energy=-1.6164366978999758 pbc="T F F" Fe 2.96431997 0.04396501 0.07236142 1.83417665 -7.92987290 -13.34976868 Fe 1.43504449 1.73854596 0.02031036 15.11657670 9.03545312 -20.69272092 Fe 1.68745344 0.02015752 1.37970777 -0.77935636 -8.15058782 9.70668634 Fe 0.41327610 1.37871118 1.25213077 -16.17139700 7.04500760 24.33580325