../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
A2B_cP12_205_c_a
a x2
standard
1
4.9432 0.34065029
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000