#
#  ISLAM(II) library - collection of potentials based
#
#  MS Islam and L J Winch
#  Phys Rev B 52(14) 10510-10515 (1995)
#
#  Fitted for HgBa2Ca2Cu3O8+d   #  NB check cutoffs
#
species
Hg    core  0.50   
Hg    shel  1.50   
Ba    core  0.152  
Ba    shel  1.848  
Ca    core  0.74   
Ca    shel  1.26   
Cu    core  1.00   
Cu    shel  1.00   
O     core  0.389  
O     shel -2.389  

buckingham
Hg shel    O   shel   648.5   0.3251    0.0   0.0 12.0
Ba shel    Ba  shel  2663.7   0.3428    0.0   0.0 12.0
Ba shel    O   shel  2096.8   0.3522    0.0   0.0 12.0
Ca shel    O   shel  1228.9   0.3372    0.0   0.0 12.0
Cu shel    O   shel  3860.6   0.2427    0.0   0.0 12.0
O  shel    O   shel 22764.0   0.1490   43.0   0.0 12.0

spring
Hg   598.0 
Ba    29.1 
Ca    34.0 
Cu 99999  
O      3.88