Axis | x | y | z | Periodic |
---|---|---|---|---|
1 | 8.800 | 0.000 | 0.000 | True |
2 | 0.000 | 8.800 | 0.000 | True |
3 | 0.000 | 0.000 | 33.187 | True |
Lengths: | 8.800 | 8.800 | 33.187 |
Angles: | 90.000 | 90.000 | 90.000 |
band structure | |||
dos |
Key | Value |
---|---|
Uniqe row ID | 243 |
Total energy | -142.850 eV |
Maximum force | 0.006 eV/Ang |
Maximum stress on unit cell | 0.005 eV/Ang3 |
Sum of atomic masses in unit cell | 5843.881 au |
Age | 14.562 months |
Items | |
---|---|
Dipole_val | 3.140 |
ads_E | -3.470 |
ads_site | 0t |
atom_E | -0.424 |
ASE-calculator name | vasp |
Net charge in unit cell | 0.000 |e| |
distance | 2.074 |
Chemical formula | Ag54F |
Magnetic moment | 0.000 au |
Number of atoms | 55 |
Periodic boundary conditions | [ True True True] |
plane_index | 100 |
slab_E | -138.956 |
str_E | -142.850 |
Random (unique) ID | fd00d3ae20656a4555dc99ac0c5c1312 |
Username | hecc |
Volume of unit cell | 2570.088 Ang3 |