../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C H N ABC_tI6_107_a_a_a a c/a z1 z2 z3 standard 1 4.6344 0.93250475 0.99606852 0.24845701 0.72777447 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001