../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Ti
A3B2_oP20_62_3c_2c
a b/a c/a x1 z1 x2 z2 x3 z3 x4 z4 x5 z5
standard
1
7.9646 0.36477664 1.0444592 0.058557388 0.12451194 0.87860013 0.44670662 0.20619517 0.8103059 0.96855134 0.68320077 0.80421105 0.019597022
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000