| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 14.982 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.034 | 0.037 | True |
| 3 | 0.000 | 0.323 | 14.940 | True |
| Lengths: | 14.982 | 6.034 | 14.943 |
| Angles: | 88.409 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 1 |
| Total energy | -186.489 eV |
| Maximum force | 0.340 eV/Ang |
| Maximum stress on unit cell | 0.001 eV/Ang3 |
| Sum of atomic masses in unit cell | 324.300 au |
| Age | 52.336 months |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B30 |
| Number of atoms | 30 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 83bbf1c455240ec959217ef3e817ea51 |
| Username | hecc |
| Volume of unit cell | 1350.429 Ang3 |