../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Ti
AB6_hP7_162_a_k
a c/a x2 z2
standard
1
5.2275 0.9271736 0.66829887 0.73971907
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000