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=35.541461923106816 stress="-3.0573915950873927 0.16583139094926203 0.962519114435812 0.16583139094926203 -2.6157973135238697 0.5680694237429433 0.962519114435812 0.5680694237429433 -3.8699758225125147" pbc="F F T" Fe 0.29874826 0.05835534 -0.25354363 -31.24031787 -26.31776384 16.68454308 Fe 1.48193431 1.42001865 0.20070203 30.06433911 25.86379866 -15.86071816 Fe 1.20342959 0.28187239 1.51001192 42.85047974 -31.75889930 -6.70234886 Fe 0.10170120 1.37793365 1.21904386 -41.67450098 32.21286448 5.87852394