../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al O Si A2B5C_mC32_15_f_e2f_c a b/a c/a beta y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 9.4974 0.49671489 0.98349022 138.3418 0.56113283 0.15614778 0.76036384 0.77290315 0.21571172 0.60725435 0.64609976 0.62089948 0.42441267 0.95217889 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000