../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Ti
AB3_hP8_194_c_h
a c/a x2
standard
1
5.8781 0.80422245 0.83045666
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000