Open Access
Table 5
Number of created candidate geometries, unique cluster geometries after DFTB optimisation, and percentage of unique clusters per created candidate for all sizes N.
| Size | Candidates | Unique clusters | Unique clusters per candidate [%] |
|---|---|---|---|
| 3 | 2000 | 150 | 7.5 |
| 4 | 2000 | 264 | 13.2 |
| 5 | 2000 | 606 | 30.3 |
| 6 | 2000 | 991 | 49.6 |
| 7 | 2000 | 1054 | 52.7 |
| 8 | 10 000 | 5204 | 52.0 |
| 9 | 10 000 | 5540 | 55.4 |
| 10 | 10 000 | 6159 | 61.6 |
| 11 | 10 000 | 6178 | 61.8 |
| 12 | 10 000 | 6785 | 67.9 |
| 13 | 10 000 | 6718 | 67.2 |
| 14 | 10 000 | 6784 | 67.8 |
| 15 | 10 000 | 6793 | 67.9 |
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