Table 1.

Free energy decomposition analysis for the fcc and bcc structures. ΔG is the free energy difference; ΔH is the enthalpy difference; ΔV is the volume difference; ΔS is the entropy difference, ΔG = ΔH − TΔS. All energies are in meV/atom. Enthalpy and volume are calculated from a 10 000-step MD simulation. T = 2700 K and P_ext = 25 GPa.

	ΔG	ΔH	ΔE	PextΔV	TΔS
bcc-fcc	−2.5	12.8	10.8	2.0	15.2