../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Ti
A5B3_oC32_63_c2f_cf
a b/a c/a y1 y2 y3 z3 y4 z4 y5 z5
standard
2
3.9552 2.5831564 2.5363066 0.7422047 0.18264386 0.95388013 0.88119548 0.7016208 0.91839579 0.85864633 0.4339456
3.8458 2.630402 2.6638931 0.28043604 0.70069426 0.81678213 0.43386671 0.44772365 0.61994119 0.37125094 0.43976338
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000