Atom is marked moved once its displacement from the original position is larger than 6.1 Angstrom.
The average numbers of atoms on the layers are:
| T | surface | layer 1 | layer 2 | layer 3 | layer 4 | bulk |
| 600K | 858.9 | 601.9 | 428.1 | 307.7 | 207.4 | 220.0 |
| 700K | 861.2 | 599.8 | 428.2 | 307.5 | 207.3 | 220.0 |
| 800K | 862.1 | 600.0 | 427.8 | 307.2 | 207.1 | 219.8 |
| 900K | 866.8 | 595.7 | 427.6 | 307.0 | 207.0 | 219.9 |
| 1000K | 869.3 | 590.5 | 429.8 | 308.3 | 206.8 | 219.3 |
MSD from initial configuration to final configuration (totally 462 configurations) averaged over all moved atoms.
Total (squared) travel distance of total 462 configurations averaged over all moved atoms.
Ratio of MSD vs (squared) travel distance averaged over all moved atoms.
