../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C Nb A5B6_mC22_12_agh_ij a b/a c/a beta y2 y3 x4 z4 x5 y5 z5 standard 1 5.5107 1.7299436 1.1511423 125.2401 0.33325637 0.664485 0.47389998 0.23731426 0.004516549 0.82434035 0.24665838 MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002