../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca
A4B_tI10_139_de_a
a c/a z3
standard
1
4.3511 2.5838983 0.3864008
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000