../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca
A_tI8_140_h
a c/a x1
standard
1
7.4277 0.87422755 0.169563
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000