Table 3. Solid phase chemical potentials at varying temperatures extrapolated to infinite system size.

Source	T (K)	Method	Chemical potential, μ (kcal mol−1)
MLFF	800	Einstein crystal	−219.704 ± 0.007
	850	Einstein crystal	−221.093 ± 0.007
	880	Einstein crystal	−221.949 ± 0.008
	900	Einstein crystal	−222.513 ± 0.008
DFT	700	Harmonic + anharmonic	−217.00 ± 0.02
	750	Harmonic + anharmonic	−218.34 ± 0.02
	800	Harmonic + anharmonic	−219.75 ± 0.01