# Definition of SNAP potential Ta_Cand06A # Assumes 1 LAMMPS atom type variable zblcutinner equal 4 variable zblcutouter equal 4.8 variable zblz equal 73 # Specify hybrid with SNAP, ZBL pair_style hybrid/overlay & zbl ${zblcutinner} ${zblcutouter} & snap pair_coeff * * zbl 0.0 # Needed to activate hybrid cross-types pair_coeff 1 1 zbl ${zblz} pair_coeff * * snap Ta06A.snapcoeff Ta Ta06A.snapparam Ta