#
#  extend by finding MS Islam and LJ Winch Phys Rev B ~1995
#  ISLAM(I) library - collection of potentials based
#
#  MS Islam J Phys Chem Solids 51 4 367-372 1990
#
#  NB check core charges and cutoffs as they may not be
#  those which were published
#  fitted for LaOBr
#
species
La    core  3.25000
La    shel -0.25000
Br    core  1.09400
Br    shel -2.09400
O     core  0.38900
O     shel -2.38900

buckingham
La shel    La    shel 24244.500 0.34460   0.000 0.0 12.0
La shel    O     shel  1648.600 0.35900  52.600 0.0 10.0
La shel    Br    shel 29882.700 0.27160 174.900 0.0 10.0
O  shel    O     shel 22764.300 0.14900 260.000 0.0 12.0
O  shel    Br    shel  6287.900 0.32690 139.600 0.0 12.0
Br shel    Br    shel  4259.600 0.37490 196.300 0.0 12.0

spring
Br   18.30
La  145.00
O    42.00

three
Br shel Br shel O shel 4.890 95.00  1.8 1.8 3.2