../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Ti
A3B2_hR10_167_e_c
a c/a x1 x2
standard
2
5.1788223 2.8147625 0.3506752 0.55220751
5.3006375 2.578478 0.34228728 0.56525194
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000