../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Ti
A2B_oP24_61_2c_c
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
2
5.2641 1.7780817 1.0531145 0.18018898 0.011807378 0.14963044 0.53489262 0.23087599 0.11289796 0.86470933 0.12913298 0.10377478
4.8825 1.9598566 1.0316436 0.13401724 0.78894143 0.37468927 0.49687022 0.97602177 0.73751235 0.25680283 0.88464842 0.040936245
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000