../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
AB3_hP24_149_acgi_3l
a c/a z3 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
5.245 2.7803051 0.66669015 0.66681082 0.3333806 0.0032660684 0.57847253 0.99559119 0.66604101 0.75513374 0.32894732 0.99490721 0.91137624
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000