../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Ni A3B5_oC16_65_ah_bej a b/a c/a x4 y5 standard 1 7.4432 0.87731083 0.50173313 0.71933153 0.77797272 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000