Datasets:
| MgO_bad_broken_symmetry | |
| 1.0 | |
| 4.210 0.000 0.000 | |
| 0.000 4.350 0.000 | |
| 0.000 0.000 4.100 | |
| Mg O | |
| 1 1 | |
| Direct | |
| 0.0000 0.0000 0.0000 | |
| 0.4700 0.5300 0.5000 | |
| MgO_bad_broken_symmetry | |
| 1.0 | |
| 4.210 0.000 0.000 | |
| 0.000 4.350 0.000 | |
| 0.000 0.000 4.100 | |
| Mg O | |
| 1 1 | |
| Direct | |
| 0.0000 0.0000 0.0000 | |
| 0.4700 0.5300 0.5000 | |