#
#  BUSH -library of potentials for GULP
#
#  from T.S.Bush, J.D.Gale, C.R.A.Catlow and P.D. Battle
#  J. Mater Chem., 4, 831-837 (1994)
#
species
Li core  1.000
Na core  1.000
K  core  1.000
Mg core  1.580
Mg shel  0.420
Ca core  0.719
Ca shel  1.281
Sr core  0.169
Sr shel  1.831
Ba core  0.169
Ba shel  1.831
Fe core  1.971
Fe shel  1.029
Ti core  2.332
Ti shel  1.678
Al core  0.043
Al shel  2.957
Ga core  3.000
Y  core  3.000
La core  5.149
La shel -2.149
Pr core  1.678
Pr shel  1.322
Nd core  1.678
Nd shel  1.322
Gd core -0.973
Gd shel  3.973
Eu core -0.991
Eu shel  3.991
Tb core -0.972
Tb shel  3.972
Yb core -0.278
Yb shel  3.278
O  core  0.513
O  shel -2.513
buckingham
Li core O shel   426.480 0.3000  0.00 0.0 10.0
Na core O shel  1271.504 0.3000  0.00 0.0 10.0
K  core O shel  3587.570 0.3000  0.00 0.0 10.0
Mg shel O shel  2457.243 0.2610  0.00 0.0 10.0
Ca shel O shel  2272.741 0.2986  0.00 0.0 10.0
Sr shel O shel  1956.702 0.3252  0.00 0.0 10.0
Ba shel O shel  4818.416 0.3067  0.00 0.0 10.0
Fe shel O shel  3219.335 0.2641  0.00 0.0 10.0
Ti shel O shel  2088.107 0.2888  0.00 0.0 10.0
Al shel O shel  2409.505 0.2649  0.00 0.0 10.0
Ga core O shel  2339.776 0.2742  0.00 0.0 10.0
Y  core O shel  1519.279 0.3291  0.00 0.0 10.0
La shel O shel  5436.827 0.2939  0.00 0.0 10.0
Pr shel O shel 13431.118 0.2557  0.00 0.0 10.0
Nd shel O shel 13084.217 0.2550  0.00 0.0 10.0
Gd shel O shel   866.339 0.3770  0.00 0.0 10.0
Eu shel O shel   847.868 0.3791  0.00 0.0 10.0
Tb shel O shel   845.137 0.3750  0.00 0.0 10.0
Yb shel O shel   991.029 0.3515  0.00 0.0 10.0
O  shel O shel    25.410 0.6937 32.32 0.0 12.0
spring
Mg 349.95
Ca  34.05
Sr  21.53
Ba  34.05
Fe 179.58
Ti 253.60
Al 403.98
La 173.90
Pr 302.36
Nd 302.35
Gd 299.96
Eu 304.92
Tb 299.98
Yb 308.91
O   20.53