../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
A2B_tI24_141_h_c
a c/a y2 z2
standard
1
6.0231 1.4227889 0.53191384 0.23345488
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000