../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Ti
A2B_oC12_65_acg_h
a b/a c/a x3 x4
standard
1
12.1779 0.32459619 0.33577218 0.67226996 0.84252523
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000