../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si A_oF16_69_gh a b/a c/a x1 y2 standard 1 9.2787 0.57961783 0.52892108 0.27623302 0.77184474 EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000