../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_hP1_191_a
a c/a
standard
1
3.7384 0.93031778
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000