../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Ti
A2B_oP12_62_2c_c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
2
5.2438 0.62021816 1.2421526 0.00053906813 0.3526683 0.13234057 0.90834089 0.24045495 0.59283068
6.5854 0.60590093 0.9713457 0.64837369 0.65346583 0.55137193 0.11216446 0.43393207 0.84022001
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000