../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner N O A2B_cP12_205_c_a a x2 standard 1 5.9523 0.11611395 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001