../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner N A_cI20_217_ce a x1 x2 standard 1 5.878 0.63332537 0.28144238 Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001