# Tersoff parameters for LAMMPS # for Zirconium Diboride (second variant of this potential, referred to as "pot 2" in the paper) # "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 Zr Zr Zr 1.000000000 1.000000000 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.6590360002 37.10348828 4.800000000 0.2000000000 2.910779802 3587.869733 Zr Zr B 1.000000000 0.2930705519 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.6590360002 37.10348828 3.358364325 0.1771695809 2.910779802 3587.869733 Zr B Zr 1.000000000 9.058826578 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.9220569442 40.02304114 4.800000000 0.2000000000 3.360803944 1765.954199 Zr B B 1.000000000 3.529554559 1.323080000 0.000000000 1.000000000 0.000000000 1.000000000 1.000000000 0.9220569442 40.02304114 3.358364325 0.1771695809 3.360803944 1765.954199 B Zr Zr 1.000000000 0.9406910657 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 0.9220569442 40.02304114 3.358364325 0.1771695809 3.360803944 1765.954199 B Zr B 1.000000000 0.8240000774 0.000000000 0.000000000 1.000000000 0.000000000 21.88447475 0.5410093933 0.9220569442 40.02304114 2.350000000 0.1500000000 3.360803944 1765.954199 B B Zr 1.000000000 0.1752312345 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