#
#  GIRARD -library of potentials for GULP
#
#  from S.Girard, J.D.Gale, C.M-Draznieks and G.Ferey  Chem Mater 13 1732 (2001)
#
#  Derivation of an Interatomic Potential for GaPO4-quartz
#
#  NB manuscript notes the Ga-P interaction is repulsive (-C?)
#
species
P   core  5.000
Ga  core  3.000
O   core  0.86902
O   shel -2.86902
buckingham
Ga  core O shel  1950.797  0.2870    0.000    0.0 12.0
P   core O shel   877.340  0.3594    0.000    0.0 12.0
O   shel O shel 22764.000  0.1490   27.879    0.0 12.0
Ga  core P core                     20.346    0.0 12.0
spring
O    74.92