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This directory (LennardJones612_UniversalShifted__MO_959249795837_002) contains
a Lennard-Jones model defined for the entire set of KIM API particle types.

* Sigma parameters are set to (2^{-1/6})*r_0, where r_0 is the atomic covalent
  radius.  Covalent radii for elements 1--96 were taken from Wolfram
  Mathematica's `ElementData["CovalentRadius"]' command.  Covalent radii for
  elements 97--118 were taken from Fig. 3 of the article Pyykko, M. Atsumi,
  J. Chem. Eur. J. 15 (2009) 12770.

* Epsilon parameters are set to the bond dissociation energy.  Bond
  dissociation energies for elements 1--55, 57--60, and 61--84 were taken from
  the CRC Handbook of Chemistry and Physics, 91st Edition, Ed. W.H. Haynes,
  2010. (as posted here:
  http://staff.ustc.edu.cn/~luo971/2010-91-CRC-BDEs-Tables.pdf)

  The value (cohesive energy, in this case) for element 56 was obtained from
  p. 50 in Charles Kittel. Introduction to Solid State Physics, 8th
  edition. Hoboken, NJ: John Wiley & Sons, Inc, 2005.

  The bond dissociation energy value for element 61 was obtained from
  "Interpolation scheme for the cohesive energies for the lanthanides and
  actinides" Borje Johansson and Anders Rosengren, Phys. Rev. B 11, 1367 (1975).

  The bond dissociation energies for elements 85--118 were not found in the
  literature.  Thus, the values used here are approximated by subtracting 10%
  from the value for the element in the same Group (column) and previous Period
  (row) of the periodic table.

* Cutoff parameters are set to 4.0*sigma.  This corresponds to a cutoff energy
  of approximately epsilon/1024.

* Lorentz-Berthelot mixing rules are used for interactions between unlike
  particles. Each interaction potential is shifted to zero energy at its cutoff
  distance.

The contents of the directory are as follows (before any compilation is
performed):


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

Makefile
     Makefile to build the Model based on the specified KIM Model Driver

README
     This file

LennardJones612_UniversalShifted.params
     Parameters file providing the Lennard-Jones Model Parameters