../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A2B_mC24_12_4i_2i
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6
standard
1
12.4506 0.30788878 0.98488426 148.8118 0.62834524 0.99694221 0.8881536 0.65162254 0.81486007 0.37381444 0.43297478 0.29269311 0.40975345 0.71451804 0.10562912 0.70743564
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000