../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cu Si A15B4_cI76_220_ae_c a x2 x3 y3 z3 standard 1 9.7137 0.20577948 0.16193009 0.9609475 0.11301793 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000