../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Au
AB4_cP20_198_a_ab
a x1 x2 x3 y3 z3
standard
1
7.0081 0.6867471 0.066527384 0.13602861 0.19842063 0.46440369
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000