../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Fe Ti A2B_hP12_194_ah_f a c/a z2 x3 standard 1 5.0668 1.599629 0.060950014 0.8319995 MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001