#
#  GRIMES library - collection of potentials
#
#  L Minervini, RW Grimes, KE Sickafus J Am Ceram Soc 83 (2000) 1873 
#  and references therein.
#
#  Potentials used to model Disorder in Pyrochlore Oxides
#
#
species
Lu    core  3.00
Yb    core  3.00
Er    core  3.00
Y     core  3.00
Gd    core  3.00
Eu    core  3.00
Sm    core  3.00
Nd    core  3.00
La    core  3.00
Ti    core  4.00
Ru    core  4.00
Mo    core  4.00
Sn    core  4.00
Zr    core  4.05
Zr    shel -0.05
Pb    core  4.05
Pb    shel -0.05
Ce    core  4.20
Ce    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
Lu  core  O   shel   1618.80  0.33849  19.27   0.0   20.0
Yb  core  O   shel   1649.80  0.3386   16.57   0.0   20.0
Er  core  O   shel   1739.91  0.3389   17.55   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
Eu  core  O   shel   1925.71  0.3403   20.59   0.0   20.0
Sm  core  O   shel   1944.44  0.3414   21.49   0.0   20.0
Nd  core  O   shel   1995.20  0.3430   22.59   0.0   20.0
La  core  O   shel   2088.79  0.3460   23.25   0.0   20.0
Ti  core  O   shel   2131.04  0.3038    0.00   0.0   20.0
Ru  core  O   shel   1215.78  0.3441    0.00   0.0   20.0
Mo  core  O   shel   1223.97  0.3470    0.00   0.0   20.0
Sn  core  O   shel   1414.32  0.3479   13.66   0.0   20.0
Zr  shel  O   shel   1502.11  0.3477    5.10   0.0   20.0
Pb  shel  O   shel   1640.34  0.3507   19.50   0.0   20.0
Ce  shel  O   shel   1809.68  0.3547   20.40   0.0   20.0
spring
Zr   189.70
Pb   205.00
Ce   177.84
O      6.3