../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C Si AB_hP16_186_a3b_a3b a c/a z1 z2 z3 z4 z5 z6 z7 z8 standard 1 3.0944 6.5432717 0.093915855 8.6112634e-05 0.84410353 0.21875375 0.46888551 0.12501023 0.75009154 0.37515347 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000