Table 3. Net atomic charges Ω (e⁻) and volumes V [ų] of atomic basins.

	Ambient Ω, V	1 GPa Ω, V	5 GPa Ω, V	10 GPa Ω, V	20 GPa Ω, V	40 GPa Ω, V
K1	+1.03, 21.2	+ 1.03, 20.5	+0.97, 19.4	+1.03, 17.7	+1.05, 16.3	+0.89, 14.5
K2	+1.00, 20.4	+1.01, 19.6	+1.07, 18.4	+1.03, 17.4	+0.93, 16.0	+1.3, 13.7
S3	+3.22, 6.1	+3.19, 6.1	+3.19, 5.9	+3.18, 6.0	+3.13, 5.8	+3.16, 5.0
Mg4	+1.91, 4.6	+1.91, 4.6	+1.84, 5.2	+1.84, 5.1	+1.74, 4.7	+1.93, 4.2
Mg5	+1.91, 4.6	+1.91, 5.2	+1.81, 5.0	+1.80, 4.9	+1.69, 4.6	+1.83, 4.3
O6	−1.27, 14.6	−1.23, 14.1	−1.16, 13.1	−1.11, 12.3	−1.15, 11.3	−1.44, 11.1
O7	−1.34, 14.8	−1.37, 14.9	−1.36, 14.2	−1.45, 14.0	−1.39, 12.6	−0.95, 9.9
O8	−1.44, 14.9	−1.42, 14.5	−1.37, 13.3	−1.35, 12.4	−1.23, 11.2	−1.56, 10.0
O9	−1.09, 14.3	−1.1, 14.2	−1.17, 13.9	−1.15, 13.3	−1.20, 12.2	−1.14, 10.7
Total charge	+0.36	+0.28	+0.32	+0.24	−0.44	+0.64
Total volume	979.6	965.2	916.8	876.4	803.6	707.2