Table 5:

Experimental and AMOEBA+ lattice parameters and lattice energies for salt crystals at 0 K.^{40, 43} “dev.” means deviation of AMOEBA+ from the experiment.

	a (Å)			L.E. (kcal/mol)
	Expt.	AMOEBA+	dev.	Expt.	AMOEBA+	dev.
LiF	3.992	3.731	−0.261	−250.7	−266.0	−15.3
LiCl	5.078	5.024	−0.054	−206.5	−207.3	−0.8
LiBr	5.426	5.393	−0.033	−196.0	−195.7	0.3
LiI	5.902	5.846	−0.056	−182.6	−183.3	−0.7
NaF	4.590	4.613	0.023	−222.3	−219.1	3.2
NaCl	5.578	5.719	0.141	−188.8	−187.7	1.1
NaBr	5.908	6.056	0.148	−180.2	−179.5	0.7
NaI	6.388	6.548	0.160	−168.5	−168.0	0.5
KF	5.296	5.428	0.132	−198.1	−196.7	1.4
KCl	6.232	6.435	0.203	−172.1	−171.6	0.5
KBr	6.524	6.745	0.221	−165.2	−163.8	1.4
KI	6.978	7.152	0.174	−155.4	−155.4	0.0
RbF	5.578	5.569	−0.009	−190.0	−190.2	−0.2
RbCl	6.518	6.681	0.163	−166.1	−167.7	−1.6
RbBr	6.820	6.991	0.171	−159.7	−162.6	−2.9
RbI	7.256	7.244	−0.012	−151.1	−154.6	−3.5
CsF	5.964	5.861	−0.103	−181.4	−182.9	−1.5
CsCl	4.068	4.170	0.102	−160.1	−162.3	−2.2
CsBr	4.235	4.203	−0.032	−154.6	−160.7	−6.1
CsI	4.510	4.445	−0.065	−146.5	−152.5	−6.0