../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner B N AB_hP4_194_c_d a c/a standard 2 2.5126 3.2197723 2.5123 3.097759 Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001