../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C Si AB_hP8_186_ab_ab a c/a z1 z2 z3 z4 standard 1 3.0934 3.2733562 0.00019436728 0.18764075 0.74957521 0.93758968 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000