# Parameters for Si-C interactions from CITATION: P. Erhart, K. Albe, J Phys Condens Matter, 15, 5649 (2003) # This set has the paper's Si-II model which predicts better elastic and thermal properties for elemental silicon. # Parameter values verified by Lucas Hale. # Identical values in openKIM model MO_408791041969_001 parameter file. # Values are in LAMMPS "metal" units. # e1 e2 e3 m gamma lambda3 c d costheta0 n beta lambda2 B R D lambda1 A C C C 1.0 0.11233 0.0 181.910 6.28433 -0.5556 1.0 1.0 1.930900932868363 175.42665059955047 2.00 0.15 4.184262321525742 2019.8449017464711 Si Si Si 1.0 0.09253 0.0 1.13681 0.63397 -0.335 1.0 1.0 1.665909976846112 361.55704712978905 2.90 0.15 2.615478663648396 1899.3857788193334 C Si Si 1.0 0.011877 0.0 273987 180.314 -0.68 1.0 1.0 1.7680742125893942 225.1894805180968 2.40 0.20 3.265633070652611 1779.3614414399558 C C Si 1.0 0.011877 0.0 273987 180.314 -0.68 0.0 0.0 0.0 0.0 2.40 0.20 0.0 0.0 C Si C 1.0 0.11233 0.0 181.910 6.28433 -0.5556 0.0 0.0 0.0 0.0 2.00 0.15 0.0 0.0 Si C C 1.0 0.011877 0.0 273987 180.314 -0.68 1.0 1.0 1.7680742125893942 225.1894805180968 2.40 0.20 3.265633070652611 1779.3614414399558 Si C Si 1.0 0.09253 0.0 1.13681 0.63397 -0.335 0.0 0.0 0.0 0.0 2.90 0.15 0.0 0.0 Si Si C 1.0 0.011877 0.0 273987 180.314 -0.68 0.0 0.0 0.0 0.0 2.40 0.20 0.0 0.0