../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
A2B_tP6_136_f_a
a c/a x2
standard
1
4.6726 0.64700595 0.30516921
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000