../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_hP12_194_bc2f a c/a z3 z4 standard 1 2.4678 13.950077 0.86916696 0.13083843 Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000