Table 1.

Lennard–Jones and Coulomb parameters (top) and minimum distances (bottom) for the reference potentials used in the EPSR simulations described in this Letter.

Atom	$∊$	$\sigma$	q
	kJ/mol	Å	e
Lennard–Jones parameters and Coulomb charges
q	0.00	0.00	+0.0000
Si	0.80	1.06	+2.0000
O	0.65	3.09	−1.0000
OS	0.65	3.09	−1.0000
HS	0.00	0.00	+0.5000
OW	0.65	3.16	−0.8476
HW	0.00	0.00	+0.4238
Atom pair	$r_{\alpha \beta }$ (Å)
Minimum distances
q-Si	12.0
q-O	11.5
q-OS	11.5
q-HS	10.5
Si–OW	2.50