Table 1. All Combinations of the Listed Parameters Were Applied for Radial and Angular eeACSFs, Respectivelya.
| Radial eeACSFs | |
|---|---|
| Hrad | 1, n, m, n, m |
| ηrad/Å–2 | 0, 0.010702, 0.023348, 0.044203, |
| 0.066118, 0.104168, 0.180285, | |
| 0.370959, 1.115414 | |
| Angular eeACSFs | |
|---|---|
| Hang | 1, n, m, n, m |
| ηang/Å–2 | 0.011238, 0.090144 |
| λ | –1, 1 |
| ξ | 1, 2.409421, 9.996864 |
The cutoff radius was set to Rc = 12 Å for all eeACSFs. γ = ±1 was used except for Hang = 1, where only γ = 1 was applied.