../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hR18_148_def_f a c/a x3 y3 z3 x4 y4 z4 standard 1 8.3978133 1.2901474 0.74779699 0.22544201 0.22770705 0.75282408 0.0031744776 0.38930942 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000