../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
AB3_hP16_163_ac_i
a c/a x3 y3 z3
standard
1
5.2415 1.8524087 0.32915991 0.33398421 0.11725308
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000