../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner N A_cP8_198_2a a x1 x2 standard 1 5.9467 0.062777283 0.95474 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001