../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A2B_hP9_152_c_a
a c/a x1 x2 y2 z2
standard
1
5.6531 1.0919495 0.4604408 0.41863831 0.27991304 0.21791844
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000