#
#  old reference
#  CAJ Fisher, MS Islam, RJ Brook, J Sol State Chem 128 137-141 1997.
#
#  correct reference
#  C. A. J. Fisher and M. S. Islam
#  Defects, Protons and Conductivity in Brownmillerite-structured Ba2In2O5,
#  Solid State Ionics, 118 (1999) 355-363
#
#  NB check core charges and cutoffs as they may not be
#  those which were published fitted for Ba2In2O5
#
species
Ba    core  0.15200
Ba    shel  1.84800
In    core  9.10000
In    shel -6.10000
O     core  0.24000
O     shel -2.24000

buckingham
Ba shel    O     shel  2096.800 0.35220   8.0000 0.0 10.0
In shel    O     shel  1495.600 0.33100   4.3250 0.0 10.0
O  shel    O     shel 22764.300 0.14900 171.9830 0.0 12.0

spring
Ba   29.1
In 1680.0
O    42.0