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=-2.18110233686 stress="-9.488432468151645 -1.2706446235894304 -0.7545286638997528 -1.2706446235894304 -10.009382083037728 -4.183697289655486 -0.7545286638997528 -4.183697289655486 -7.761575122010509" pbc="F F F" Fe 0.19571630 0.21211731 -0.05031310 -14.90584472 -24.53789762 -20.42352528 Cr 1.61037779 1.37761989 0.18316844 17.65018750 13.42372239 0.44018766 Fe 1.35687199 -0.02335587 1.74122900 9.30773315 -8.98076359 4.38992651 Cr 0.02201293 1.31634348 1.42534241 -12.05207594 20.09493881 15.59341111