# 2-Body n, beta, lambda2, B, lambda1, and A # 3-Boby lambda3, c, d, and costheta0 # I thik 'R' is dependent on the type of cluster # Rutuparna Narulkar @ Oklahoma State University # Tersoff parameters for various elements and mixtures # multiple entries can be added to this file, LAMMPS reads the ones it needs # these entries are in LAMMPS "metal" units: # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms # other quantities are unitless # format of a single entry (one or more lines): # element 1, element 2, element 3, # lambda3, c, d, costheta0, n, # beta, lambda2, B, R, D, lambda1, A, Chi C C C 0.0 38049 4.3484 -.57058 .72751 0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6 Si Si Si 0.0 100390 16.217 -.59825 .78734 0.0000011 1.73222 471.18 2.7 0.3 2.4799 1830.8 Si Si C 0.0 100390 16.217 -.59825 .78734 0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8 Si C C 0.0 100390 16.217 -.59825 .787340 0.0000011 1.97205 395.126 2.20 0.3 2.9839 1597.3111 C Si Si 0.0 38049 4.3484 -.57058 .72751 0.00000015724 1.97205 395.126 2.20 0.3 2.9839 1597.3111 C Si C 0.0 38049 4.3484 -.57058 .72751 0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6 C C Si 0.0 38049 4.3484 -.57058 .72751 0.00000015724 2.2119 346.7 2.2 0.3 3.4879 1393.6 Si C Si 0.0 100390 16.217 -.59825 .78734 0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8