Table 1.

MD simulations of calcium phosphate precipitation in a solvent box. The table lists the CaHPO₄ (1–4) and Ca(H₂PO₄)₂ (5–6) concentrations used. Each simulation is labeled with a number (first column), followed by the number of ions employed. The fourth and fifth columns present the molar concentration for ${\text{HPO}}_4^{2-}$ and ${\text{H}}_{\text{2}}{\text{PO}}_4^{-}$ ions, respectively. The systems were first equilibrated as described in Methods.

Sim	# Ca2+	# ${\text{HPO}}_4^{2-}$	# ${\text{H}}_{\text{2}}{\text{PO}}_4^{-}$	${\text{M}}_{{\mathit{HPO}}_4^{2-}}$	${\text{M}}_{H_2{PO}_4^{-}}$	Time (ns)
1	20	20	0	0.2	0	50
2	49	49	0	0.5	0	50
3	98	98	0	1.1	0	50
4	196	196	0	2.2	0	50
5	10	0	20	0	0.2	50
6	20	0	40	0	0.4	50
7	49	0	98	0	1.0	50
8	98	0	196	0	2.0	50