#
#  CATLOW -library of potentials for GULP
#
#  from ATJ hope, CA Lengand CRA Catlow,
#  Proc. R. Soc. Lond. A 424 57-79 1989
#  and references within this paper
#
#  Note:
#  (i) check paper for parameters, spline data and REFERENCES therein
#
species
Si  core  4.0000
O   core -2.0000
Kr  core  9.9000
Kr  shel -9.9000

buckingham

Si  core O  core   503.600  0.42375 228.891 10.0
O   core O  core 22764.000  0.14900  46.084 12.0
Kr  shel O  core   227.785  0.46783 161.128 10.0
Kr  shel Si core  2521.213  0.29415   0.0   10.0

lennard
Kr  shel Kr shel 558424.53  177.752 10.0

# spline
# Kr  shel Kr  shel  12.0
# energy_1 2.1
# energy_2 3.5
# energy_3 3.9

three
Si core O core O core 6.9269 109.47 1.8 1.8 3.2

spring
Kr 568.04