../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_oP24_56_ace_e a b/a c/a z2 x3 y3 z3 x4 y4 z4 standard 1 4.7491 1.7235055 1.8103009 0.63889715 0.41550114 0.94700885 0.19965341 0.64578714 0.93695194 0.34105637 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000