Repulsive shoulder system with attractive well potential
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The repulsive shoulder system with attractive well potential (RSS-AW) is given by (Eq. 2
\[ \Phi_{12}(r)/\epsilon = \left(\frac{\sigma}{r}\right)^{14} + \lambda_0 - \lambda_1 \tanh\left( k_1 (r - \sigma_1) \right) + \lambda_2 \tanh\left( k_2 (r - \sigma_2) \right) \]
where
- \(r := |\mathbf{r}_1 - \mathbf{r}_2|\)
- \( \Phi_{12}(r) \) is the intermolecular pair potential between two particles or sites
- \( \epsilon \) is the well depth (energy)
