../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca H O
AB2C2_hP5_164_a_d_d
a c/a z2 z3
standard
1
3.625 1.3884966 0.57862924 0.7719773
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000