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=-0.952566647047284 stress="-1.4436500726483488 0.058328696840986065 0.0062998185740699725 0.058328696840986065 -1.403944371035971 -0.04347757901194132 0.0062998185740699725 -0.04347757901194132 -1.0558610993432298" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.32893155 -17.52481068 -10.26505460 Fe 1.77219963 1.43381326 0.13132919 -11.48958712 14.68915632 -9.29483412 Fe 1.75978669 0.18365717 1.70288723 -10.34766337 -12.83918788 9.16747702 Fe 0.08343331 1.29585403 1.44809454 12.50831894 15.67484224 10.39241169