. 2023 Jul 12;8(29):26577–26589. doi: 10.1021/acsomega.3c03469

Table 2. Applied Strains (V_i) and the Corresponding Strain Energy Densities (ΔE/V₀) for the Cubic Fm3̅m Structure⁵.

structure	strain	parameters	ΔE/V₀
Fm3̅m	V₁	ε₁ = ε₂ = ε₃ = δ	(C₁₁ + 2C₁₂) δ²
	V₂	ε₁ = δ, ε₂ = −δ, ε₃ = δ²/(1 – δ²)	(C₁₁ – C₁₂) δ² + O(δ³)
	V₃	ε₃ = δ²/(1– δ²), ε₆ = δ	2C₄₄δ² + O(δ³)

Table 2. Applied Strains (Vi) and the Corresponding Strain Energy Densities (ΔE/V0) for the Cubic Fm3̅m Structure5.