| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 14.958 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.051 | 0.029 | True |
| 3 | 0.000 | 2.439 | 23.520 | True |
| Lengths: | 14.958 | 6.051 | 23.646 |
| Angles: | 83.806 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 5 |
| Total energy | -299.763 eV |
| Maximum force | 0.322 eV/Ang |
| Maximum stress on unit cell | 0.001 eV/Ang3 |
| Sum of atomic masses in unit cell | 518.880 au |
| Age | 5.075 years |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B48 |
| Number of atoms | 48 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 30b66325bacaffd4b84a478f9d13f862 |
| Username | hecc |
| Volume of unit cell | 2127.808 Ang3 |