| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 21.990 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.030 | -0.011 | True |
| 3 | 0.000 | 2.305 | 8.091 | True |
| Lengths: | 21.990 | 6.030 | 8.413 |
| Angles: | 74.202 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 3 |
| Total energy | -99.359 eV |
| Maximum force | 0.278 eV/Ang |
| Maximum stress on unit cell | 0.002 eV/Ang3 |
| Sum of atomic masses in unit cell | 172.960 au |
| Age | 52.338 months |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B16 |
| Number of atoms | 16 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 3e2a4dc845ab5043a2cecd13becb28f4 |
| Username | hecc |
| Volume of unit cell | 1073.421 Ang3 |