N˚ | Parameters | Li | Na | K |
1 | rc | 3.6 | 43,997 | 54,797 |
2 | delr | 0.1 | 0.1 | 0.1 |
3 | augt1 | 0 | 0 | 0 |
4 | erose_form | 2 | 2 | 2 |
5 | ialloy | 2 | 2 | 2 |
6 | zbl(1, 1) | 0 | 0 | 0 |
7 | nn2(1, 1) | 1 | 1 | 1 |
8 | attrac(1, 1) | 0.05 | 0.05 | 0.05 |
9 | repuls(1, 1) | 0.05 | 0.05 | 0.05 |
10 | Cmin(1, 1, 1) | 0.16 | 0.16 | 0.16 |
11 | Cmax(1, 1, 1) | 2.8 | 2.8 | 2.8 |
12 | Ec(1, 1) | 1.65 | 1.13 | 0.94 |
13 | re(1, 1) | 3.02 | 3821 | 4874 |