../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Mn Si A5B3_oC32_63_ceg_cg a b/a c/a y1 y2 x3 x4 y4 x5 y5 standard 1 12.4691 0.59493468 0.42777747 0.72523638 0.39577642 0.32884152 0.12101079 0.11976932 0.31027276 0.30019639 MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001