#
#  OLSON NELSON ISLAM(III) library
#
#  C L Olson J Nelson and M S Islam
#  J Phys Chem B 110 9995-10001 (2006)
#
#  Defect chemistry, surface structures, and Li insertion in anatase TiO2
#
#  I have assumed a short range cutoff of 25Angs and a formal charge on each ion
#
species
Ti    core  4.10   
Ti    shel -0.10   
Li    core  1.00  
O     core  0.800  
O     shel -2.800  

buckingham
Ti shel    O   shel  5111.7   0.2625    0.0   0.0 25.0
O  shel    O   shel 12420.5   0.2215   29.07  0.0 25.0

spring
Ti   314.0 
O     31.0