| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 10.302 | 0.000 | 0.000 | True |
| 2 | 0.000 | 10.298 | 0.000 | True |
| 3 | 0.000 | 0.000 | 10.306 | True |
| Lengths: | 10.302 | 10.298 | 10.306 |
| Angles: | 90.000 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 3 |
| Total energy | -446.964 eV |
| Maximum force | 0.050 eV/Ang |
| Maximum stress on unit cell | 0.002 eV/Ang3 |
| Sum of atomic masses in unit cell | 4261.102 au |
| Age | 54.473 months |
| Items | |
|---|---|
| ASE-calculator name | unknown |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | In30Mg2O48 |
| Number of atoms | 80 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | ba13c20afa3892d3ec6554bd07c5f661 |
| Username | hecc |
| Volume of unit cell | 1093.377 Ang3 |