../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_hP8_194_ef a c/a z1 z2 standard 1 2.5188 3.2978799 0.092975226 0.65554043 Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000