../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Si A_hP40_191_hjmno a c/a z1 x2 x3 x4 z4 x5 z5 standard 1 10.2149 1.0165836 0.61228571 0.75779551 0.86747065 0.38051764 0.81323099 0.79060657 0.68780964 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000