../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Fe Si A5B3_oC32_63_ceg_cg a b/a c/a y1 y2 x3 x4 y4 x5 y5 standard 1 12.1841 0.58014954 0.39852759 0.22872689 0.59074389 0.66980269 0.88664935 0.8811133 0.19726495 0.20345628 MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001