../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A2B_mP12_11_4e_2e
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6
standard
1
11.508 0.34392596 0.53848627 92.1894 0.85707112 0.83755525 0.78207661 0.34399313 0.064152503 0.46367014 0.60563977 0.95200051 0.74243766 0.044480606 0.90065783 0.55167874
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000