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=-0.9525666477716797 stress="-1.4436503268199454 0.058328794778297235 0.00629994527013451 0.058328794778297235 -1.4039443960970033 -0.043477567744027244 0.00629994527013451 -0.043477567744027244 -1.0558612187701097" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.32893209 -17.52480959 -10.26505492 Fe 1.77219963 1.43381326 0.13132919 -11.48958468 14.68915504 -9.29483616 Fe 1.75978669 0.18365717 1.70288723 -10.34766129 -12.83918985 9.16747740 Fe 0.08343331 1.29585403 1.44809454 12.50831387 15.67484440 10.39241368