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# Copyright (c) 2012, Regents of the University of Minnesota.  All rights reserved.
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# Contributors:
#    Ryan S. Elliott
#    Ellad B. Tadmor
#    Mingjian Wen


This directory (Three_Body_Stillinger_Weber_CdTeZnSeHgS__MO_503261197030_001) contains the
parameterization of the Stillinger-Weber(SW) potential Model for Cd, Te, Zn, Se, Hg and S.
Usage of a subset of the supported species is valid. For example, to use solely Cd is fine.

The following files are in this directory:

Three_Body_Stillinger_Weber_CdTeZnSeHgS.params

  first line: 6 (number of species)

  Then each line lists the following 9 parameters for the interaction between two species:
  A(in ev) B p q sigma(in Angstrom) lambda(in eV) gamma(in Angstorm) costheta_0 cutoff

  in the following order:
  (1, 1)
  (1, 2)
  (1, 3)
  (1, 4)
  (1, 5)
  (1, 6)
  (2, 2)
  (2, 3)
   .
   .
   .
  (5, 6)
  (6, 6)
  where 1=Cd, 2=Te, 3=Zn, 4=Se, 5=Hg, and 6=S.

Any additional lines will be silently ignored.

The parameters are taken from reference 3 listed below.

LICENSE.CDDL
     The Common Development and Distribution License (CDDL) Version 1.0 file

Makefile
    makefile to compile and build the Model based on the specified KIM Model
    Driver

README
    This file

References:

1. F. H. Stillinger and T. A. Weber, "Computer simulation of local order in condensed phases of silicon", Phys. Rev. B, vol. 31, 5262-5271, 1985

2. Ellad B. Tadmor and Ronald E. Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press, 2011

3. X. W. Zhou, D. K. Ward, and J. E. Martin, et al, "Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te" Phys. Rev. B, 88, 085309, 2013.