../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner B C AB5_tI24_141_a_b2e a c/a z3 z4 standard 1 3.0704 5.1291363 0.77268481 0.17242321 Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000