#
#  GRIMES library - collection of potentials
#
#  L Minervini, MO Zacate, RW Grimes, Solid State Ionics 116 (1999) 339 
#  and references therein.
#
#  Potentials used in Defect cluster formation in M2O3 - doped CeO2.
#
#
species
Al    core  3.00
Cr    core  3.00
Ga    core  3.00
Fe    core  3.00
Sc    core  3.00
In    core  3.00
Y     core  3.00
Gd    core  3.00
Ce    core  3.00
La    core  3.00
Ce4   core  4.20
Ce4   shel -0.20
O     core  0.04
O     shel -2.04

buckingham
O   shel  O   shel   9547.96  0.2192   32.0    0.0   20.0
Ce4 shel  O   shel   1809.68  0.3547   20.40   0.0   20.0
Al  core  O   shel   1725.20  0.28971   0.0    0.0   20.0
Cr  core  O   shel   1204.18  0.3165    0.0    0.0   20.0
Ga  core  O   shel   1625.72  0.3019    0.0    0.0   20.0
Fe  core  O   shel   1414.60  0.3128    0.0    0.0   20.0
Sc  core  O   shel   1575.85  0.3211    0.0    0.0   20.0
In  core  O   shel   1495.65  0.3327    4.33   0.0   20.0
Y   core  O   shel   1766.40  0.33849  19.43   0.0   20.0
Gd  core  O   shel   1885.75  0.3399   20.34   0.0   20.0
Ce  core  O   shel   2010.18  0.3449   23.11   0.0   20.0
La  core  O   shel   2088.79  0.3460   23.25   0.0   20.0

spring
Ce4  177.84
O      6.3