# Original CeO2 Potential Reference: # # (Frenkel Pair Formation) # A. Walsh, S. M. Woodley, C. R. A. Catlow and A. A. Sokol, # Solid State Ionics 184, 52 (2011). DOI:10.1016/j.ssi.2010.08.010 # species Ce core 8.364996 Ce shel -4.364996 O core 1.208967 O shel -3.208967 buck Ce shel Ce shel 5112.363589 0.113225 0.000000 0.00 15.00 O shel O shel 4310.247635 0.196093 0.000000 0.00 15.00 O shel O core 579.970961 0.096149 0.000000 0.60 15.00 O shel Ce core 42.218829 0.441259 0.000000 0.00 15.00 lenn 12 6 O shel O shel 10.00000 60.097963 0.00 15.00 Ce shel Ce shel 10.00000 20.327746 0.00 15.00 O shel Ce shel 10.00000 41.795090 0.00 15.00 morse O shel Ce shel 0.082847 4.180479 1.528758 0.0 0.00 15.00 O shel Ce core 0.107585 1.022408 4.350085 0.0 0.00 15.00 O shel Ce core 0.109285 2.189865 2.138631 0.0 0.00 15.00 O core Ce shel 2.688393 2.369924 1.661182 0.0 0.00 15.00 Ce shel Ce shel 1.152090 2.723086 3.408673 0.0 0.00 15.00 O shel O shel 0.005047 0.927171 4.762552 0.0 0.00 15.00 spring Ce 117.728645 93291981.620729 1 1 O 72.071301 203400583.793525 1 1