../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
AB3_hP8_193_b_g
a c/a x2
standard
1
5.2585 0.93800513 0.33041384
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000