# Tersoff parameters for LAMMPS # for Hafnium Diboride # "Interatomic potentials for Zirconium Diboride and Hafnium Diboride" # M. S. Daw, J. W. Lawson, and D> W. Bauschlicher # Comp Mat Sci, v50 p 2828 (2011) # submitted to OpenKIM by MSD in 2022 # # m, gamma, lambda3, c, d, h, n # beta, lambda2, B, R, D, lambda1, A Hf Hf Hf 1.000000000 1.000000000 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.6589459861 39.62503700 4.800000000 0.2000000000 2.831649289 3158.387632 Hf Hf B 1.000000000 0.2526750519 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.6589459861 39.62503700 3.358364325 0.1771695809 2.831649289 3158.387632 Hf B Hf 1.000000000 8.011226903 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.9245510080 42.73046164 4.800000000 0.2000000000 3.330828218 1696.722069 Hf B B 1.000000000 3.792637799 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.9245510080 42.73046164 3.358364325 0.1771695809 3.330828218 1696.722069 B Hf Hf 1.000000000 0.9934950367 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 0.9245510080 42.73046164 3.358364325 0.1771695809 3.330828218 1696.722069 B Hf B 1.000000000 0.8140009059 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 0.9245510080 42.73046164 2.350000000 0.1500000000 3.330828218 1696.722069 B B Hf 1.000000000 0.1620252425 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 1.190166960 36.76739194 3.358364325 0.1771695809 3.955278524 1061.984813 B B B 1.000000000 1.000000000 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 1.190166960 36.76739194 2.350000000 0.1500000000 3.955278524 1061.984813