# Parameters for Si-C interactions from CITATION: S. Munetoh, T. Motooka, K. Moriguchi, A. Shintani, Comp Mat Sci, 39, 334-339 (2007) # Parameter values verified by Lucas Hale. # The values in Si0.tersoff files of August 22, 2018 LAMMPS distribution are comparable, with higher precisions used here for the derived mixing parameters. # Note that the value of n has no effect when B=0. # Values are in LAMMPS "metal" units. # e1 e2 e3 m gamma lambda3 c d costheta0 n beta lambda2 B R D lambda1 A Si Si Si 3.0 1.0 0.0 100390 16.217 -.59825 0.78734 1.1e-6 1.73222 471.18 2.65 0.15 2.4799 1830.8 O O O 3.0 1.0 0.0 64692.1 4.11127 -.845922 1.04968 1.1632e-7 2.35692 218.787 1.85 0.15 4.17108 1882.55 Si O O 3.0 1.0 0.0 100390 16.217 -.59825 0.78734 1.1e-6 2.04456 378.6898939266548 2.2139923630243383 0.15243955021550804 3.32549 1856.4946916164345 Si Si O 3.0 1.0 0.0 100390 16.217 -.59825 0.0 0.0 0.0 0.0 2.2139923630243383 0.15243955021550804 0.0 0.0 Si O Si 3.0 1.0 0.0 100390 16.217 -.59825 0.0 0.0 0.0 0.0 2.65 0.15 0.0 0.0 O Si Si 3.0 1.0 0.0 64692.1 4.11127 -.845922 1.04968 1.1632e-7 2.04456 378.6898939266548 2.2139923630243383 0.15243955021550804 3.32549 1856.4946916164345 O Si O 3.0 1.0 0.0 64692.1 4.11127 -.845922 0.0 0.0 0.0 0.0 1.85 0.15 0.0 0.0 O O Si 3.0 1.0 0.0 64692.1 4.11127 -.845922 0.0 0.0 0.0 0.0 2.2139923630243383 0.15243955021550804 0.0 0.0