Lennard-Jones Parameters Calculator

Universal Shifted Lennard-Jones (12-6) Potential Parameters

Calculate LJ Parameters

Species 1

Species 2

Manual Parameter Override

Optionally override the calculated parameters with your own values

Sigma (Å)

Epsilon (eV)

Mixing Rule

Calculation Results

#	Species Pair	σ (Å)	ε (eV)	Cutoff (Å)	Mixing Rule