../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A5B4_tI18_87_ah_h
a c/a x2 y2 x3 y3
standard
1
6.7635 0.62551933 0.81391185 0.41256449 0.717592 0.11164628
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000