../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
AB3C_tI40_139_abc_hn_f
a c/a x5 y6 z6
standard
1
7.2241 0.99727302 0.23876833 0.74978899 0.73864739
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000