../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al O A2B3_hR10_167_c_e a c/a x1 x2 standard 1 4.8085156 2.7290184 0.64785085 0.94382702 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000