../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner N A_cI20_217_ce a x1 x2 standard 1 5.878 0.63332537 0.28144238 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001