# # Original In2O3 Potential Reference: # (Phase Stability and Defect Formation) # A. Walsh, C. R. A. Catlow, A. A. Sokol and S. M. Woodley, # Chem. Mater. 21, 4962 (2009). # # Also used for: # (Nanoclusters) # A. Walsh and S. M. Woodley, PCCP 12, 8446 (2010). # # (Frenkel Pair Formation) # A. Walsh, S. M. Woodley, C. R. A. Catlow and A. A. Sokol, # Solid State Ionics 184, 52 (2011). # species In core 3.000000 O core 0.840000 O shel -2.840000 buck O shel O shel 22764.0000 0.149000 32.00000 0.00 15.00 In core O shel 1498.65095 0.340520 33.20000 0.00 15.00 spring O 28.000000