../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A2B_tI12_141_e_a
a c/a z2
standard
1
3.8632 2.5169549 0.082162856
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000