#
#  BINKS -library of potentials for GULP
#
#  from D.J.Binks October 1994 PhD
#       University of Surrey, Chemistry
#
#  Note that cutoffs may NOT refer to that published
#  Errata states that Al2+ should read Al3+ (changed made below however
#  this implies that fitted to Al3O3 is an error and should read Al2O3)

species
Li  core  1.000
Na  core  1.000
K   core  1.000
Ag  core  1.000
Cu  core  1.000
Mg  core  2.000
F   core  0.378
F   shel -1.378
Cl  core  0.984
Cl  shel -1.984
Al  core  3.000
Co2 core  2.000
Co3 core  3.000
Co4 core  4.000
Cr2 core  2.000
Cr3 core  3.000
Cr4 core  4.000
Zn0 core  0.000
Zn1 core  1.000
Zn2 core  2.000
Zn3 core  3.000
O1  core  0.040
O1  shel -1.040
O2  core  0.040
O2  shel -2.040

# fitted to NaCl,KCl,Ag2O,Cu2O CoO Co2O3(ls),Co2O3(hs),Co3O4(ls) ZnO
#           Ag2O,Li2O,Na2O,K2O,Cu2O,MgO,Al3O3 ZnCr2O2
#           NaF,ZnF2,LiF,NaF,KF NaCl,ZnCl2,LiCl,NaCl,KCl
buckingham
Na  core Na  core  1788.189 0.1586   0.00 0.0 10.0
K   core K   core  2189.190 0.1916   0.00 0.0 10.0
Ag  core Ag  core  1335.890 0.1424   0.00 0.0 10.0
Cu  core Cu  core   994.850 0.1898   0.00 0.0 10.0
Co2 core O2  shel   778.020 0.3301   0.00 0.0 10.0
Co3 core O2  shel  1226.310 0.3087   0.00 0.0 10.0
Co3 core O2  shel  1371.710 0.3087   0.00 0.0 10.0
Co3 core O2  shel  1156.610 0.3087   0.00 0.0 10.0
Zn2 core O2  shel   529.700 0.3581   0.00 0.0 10.0
Ag  core O2  shel  1417.030 0.2851   0.00 0.0 10.0
Li  core O2  shel   828.010 0.2793   0.00 0.0 10.0
Na  core O2  shel  1677.830 0.2934   0.00 0.0 10.0
K   core O2  shel   958.210 0.3606   0.00 0.0 10.0
Cu  core O2  shel   610.740 0.3045   0.00 0.0 10.0
Mg  core O2  shel  1284.380 0.2997   0.00 0.0 10.0
Al  core O2  shel  1725.000 0.2897   0.00 0.0 10.0
Cr3 core O2  shel  1204.170 0.3165   0.00 0.0 10.0
F   shel F   shel   911.690 0.2707  13.80 0.0 10.0
Zn2 core F   shel  1482.300 0.2664   0.00 0.0 10.0
Li  core F   shel   443.830 0.2714   0.00 0.0 10.0
Na  core F   shel  1459.75  0.3672   0.00 0.0 10.0
K   core F   shel  3521.60  0.2672   0.00 0.0 10.0
Cl  shel Cl  shel  3296.57  0.3289 107.70 0.0 10.0
Zn2 core Cl  shel  9704.89  0.2320   0.00 0.0 10.0
Li  core Cl  shel   770.54  0.3028   0.00 0.0 10.0
Na  core Cl  shel   482.63  0.3581   0.00 0.0 10.0
K   core K   core  8022.00  0.2840   0.00 0.0 10.0
# analytic
buckingham
O2  shel O2  shel  9547.960 0.2192 32.00 0.0 10.0
# pfitter 
buckingham
O2  shel O1  shel 149734.35 0.1593 19.90 0.0 10.0
Co3 core O2  shel   1006.61 0.3087  0.00 0.0 10.0
Co3 core O1  shel   6123.71 0.2292  0.00 0.0 10.0
Co4 core O2  shel   1102.03 0.2984  0.00 0.0 10.0
Zn3 core O2  shel    560.21 0.3470  0.00 0.0 10.0
Zn2 core O1  shel    818.84 0.2977  0.00 0.0 10.0
Zn1 core O2  shel    470.41 0.3718  0.00 0.0 10.0
Zn1 core O1  shel    789.88 0.3135  0.00 0.0 10.0
Zn0 core O2  shel    180.81 0.4418  0.00 0.0 10.0
Cr2 core O2  shel    662.47 0.3572  0.00 0.0 10.0
Cr3 core O1  shel   6123.71 0.2292  0.00 0.0 10.0
Cr4 core O2  shel   1630.80 0.2950  0.00 0.0 10.0
F   shel O2  shel    464.54 0.3362 22.10 0.0 10.0
Cl  shel O2  shel   8286.91 0.2585 62.20 0.0 10.0

spring
O1   6.3
O2   6.3
F   24.36
Cl  17.52