# Number of Species 1 # Si-Si-Si-Si interaction1 7.041365010799137 0.60107948999545 4 0 1.80 1.727861771058315 20.302375809935207 1.145530046298506 2.0951 2.315 5.0 -0.3333333333333333 # Above values correspond to the following parameters line by line # Line 1: Any comments # Line 2: nSpecies, where nSpecies is the number of species and can be either 1 or 2 # Line 3: Any comments, e.g. parameters for nInteractions below starting with 1st, or blank space. More blank lines may follow. # Line 4: A # Line 5: B # Line 6: p # Line 7: q # Line 8: a # Line 9: lambda # Line 10: lambda_2 # Line 11: gamma # Line 12: sigma in Angstrom # Line 13: epsilon in ev # Line 14: Q # Line 15: costheta_0 # If nSpecies = 1, then ignore additional lines otherwise # continue listing the parameters for 2nd interaction # Line 18: A # Line 19: B # Line 20: p # Line 21: q # Line 22: a # Line 23: lambda # Line 24: lambda_2 # Line 25: gamma # Line 26: sigma in Angstrom # Line 27: epsilon in ev # Line 28: Q # Line 29: costheta_0 # If nSpecies = 2, then continue listing the parameters for all # interactions from 3rd to 16th #Any additional lines will be silently ignored. #References: 1. Mistriotis et al, Physical Review B 39, 1212 (1989) 2. Ellad B. Tadmor and Ronald E. Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press, 2011 3. All parameters in Ref 1 are adjusted for epsilon = 2.315 eV. #