../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Cu Pt
ABC2_tP4_123_a_c_e
a c/a
standard
1
3.9869 0.87576814
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000