. 2009 Sep 3;109(12):6858–6919. doi: 10.1021/cr900053k

Table 5. Average Bond Valence Sums and Standard Deviations (in Valence Units) around Classes of Atoms in Two Molecular Dynamics Simulations of a Calcium Iron Silicate Glass^a.

	simulation 1		simulation 2
atom	average	standard deviation	average	standard deviation
Si	4.66	0.20	4.26	0.24
O	2.00	0.24	1.94	0.17
Ca	0.87	0.14	1.43	0.20
Fe	1.77	0.19	1.70	0.22

Simulation 1 shows the bond valence sums after the calculation with the original potential function. Simulation 2 shows the bond valence sums after the potential function was refined.(16)

Table 5. Average Bond Valence Sums and Standard Deviations (in Valence Units) around Classes of Atoms in Two Molecular Dynamics Simulations of a Calcium Iron Silicate Glassa.

Table 5. Average Bond Valence Sums and Standard Deviations (in Valence Units) around Classes of Atoms in Two Molecular Dynamics Simulations of a Calcium Iron Silicate Glass^a.