../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Pd
A3B5_oP16_55_ah_cgh
a b/a c/a x3 y3 x4 y4 x5 y5
standard
1
5.411 1.9486601 0.75063759 0.10458736 0.7698699 0.84428789 0.64357688 0.81553633 0.89485046
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000