Table 1. Empirical parameters of the pair potentials used for the atomistic simulation.

	Dij/eV	aij/Å−1	r0/Å	Cij/eV Å12
Sr1.2+–O1.2−	0.019623	1.886000	3.328330	3.0
Ti2.4+–O1.2−	0.024235	2.254703	2.708943	1.0
O1.2−–O1.2−	0.042395	1.379316	3.618701	22.0