../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
AB2_hP3_164_a_d
a c/a z2
standard
1
3.0179 1.6325922 0.73037115
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000