| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 21.966 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.048 | 0.031 | True |
| 3 | 0.000 | 1.222 | 11.770 | True |
| Lengths: | 21.966 | 6.048 | 11.833 |
| Angles: | 83.783 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 15 |
| Total energy | -149.943 eV |
| Maximum force | 0.244 eV/Ang |
| Maximum stress on unit cell | 0.001 eV/Ang3 |
| Sum of atomic masses in unit cell | 259.440 au |
| Age | 52.339 months |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B24 |
| Number of atoms | 24 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 42c7dbc92480ca1b8604781ef0a60bde |
| Username | hecc |
| Volume of unit cell | 1562.841 Ang3 |