Table 1. Optimized equilibrium lattice constants of LnNiO₃ obtained using the GGA+U method and their total and atomic magnetic moments at their optimized equilibrium lattice constants.

LnNiO3	a (Å)	c (Å)	M total (μB)	M Ln (μB)	M Ni (μB)	M O (μB)
LaNiO3	5.499	13.078†	6.236	0.008	1.326	−0.093 /−0.103/−0.093
	5.49	13.14‡
CeNiO3	5.538	13.127	6.250	0.008	1.344	−0.098/−0.109/−0.098
DyNiO3	5.435	12.648	6.263	0.016	1.308	−0.094/−0.095/−0.094
ErNiO3	5.410	12.612	6.263	0.017	1.300	−0.089/−0.092/−0.091
GdNiO3	5.439	13.068	6.298	0.015	1.358	−0.105/−0.108/−0.110
HoNiO3	5.411	12.378	6.323	0.017	1.373	−0.110/−0.114/−0.112
LuNiO3	5.499	13.078	6.341	0.017	1.395	−0.117/−0.120/−0.119
NdNiO3	5.511	12.868	6.244	0.010	1.328	−0.096/−0.102/−0.099
PmNiO3	5.449	13.058	6.262	0.011	1.341	−0.103/−0.107/−0.099
TbNiO3	5.447	12.671	6.261	0.015	1.311	−0.092/−0.096/−0.094

^†From our work.

^‡Experimental parameters (Sreedhar et al., 1992 ▸).