../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
A2B4C_hP14_186_ab_bc_b
a c/a z1 z2 z3 z4 x5 z5
standard
1
5.5468 1.3401961 0.55315574 0.82683114 0.55579836 0.33848546 0.16994112 0.27480827
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000