../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A2B_mP12_14_2e_e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
1
6.4475 0.76966266 0.79196588 131.3381 0.067313924 0.67126273 0.71991331 0.44497439 0.24200099 0.96871002 0.27644306 0.95369266 0.070423732
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000