# Number of Species 1 Si # 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: chemical symbols of the species (separated by a space if nSpecies=2) # Line 4: Any comments, e.g. parameters for nInteractions below starting with 1st, or blank space. More blank lines may follow. # Line 5: A # Line 6: B # Line 7: p # Line 8: q # Line 9: a # Line 10: lambda # Line 11: lambda_2 # Line 12: gamma # Line 13: sigma in Angstrom # Line 14: epsilon in ev # Line 15: Q # Line 16: costheta_0 # If nSpecies = 1, then ignore additional lines. Otherwise # continue listing the parameters for 2nd interaction # Line 19: A # Line 20: B # Line 21: p # Line 22: q # Line 23: a # Line 24: lambda # Line 25: lambda_2 # Line 26: gamma # Line 27: sigma in Angstrom # Line 28: epsilon in ev # Line 29: Q # Line 30: costheta_0 # If nSpecies = 2, then continue listing the parameters for all # interactions from 3rd to 16th. # Note that the overall order in which parameters are given in # the event that nSpecies = 2 must be as follows, where "A" # represents the first species given on line 3 and "B" represents # the second species given on line 3: # A - A - A - A # A - A - A - B # A - A - B - A # A - A - B - B # A - B - A - A # A - B - A - B # A - B - B - A # A - B - B - B # B - A - A - A # B - A - A - B # B - A - B - A # B - A - B - B # B - B - A - A # B - B - A - B # B - B - B - A # B - B - B - B #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. #