| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 14.950 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.055 | -0.027 | True |
| 3 | 0.000 | 2.199 | 29.221 | True |
| Lengths: | 14.950 | 6.056 | 29.304 |
| Angles: | 85.954 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 14 |
| Total energy | -375.361 eV |
| Maximum force | 0.286 eV/Ang |
| Maximum stress on unit cell | 0.001 eV/Ang3 |
| Sum of atomic masses in unit cell | 648.600 au |
| Age | 52.341 months |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B60 |
| Number of atoms | 60 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 15604c46f720b4e19d5782099afa7e58 |
| Username | hecc |
| Volume of unit cell | 2646.235 Ang3 |