Ag54H

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 235
Total energy -141.597 eV
Maximum force 0.010 eV/Ang
Maximum stress on unit cell 0.006 eV/Ang3
Sum of atomic masses in unit cell 5825.891 au
Age 14.564 months
Items
Dipole_val 0.813
ads_E -1.525
ads_site 0t
atom_E -1.117
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.661
Chemical formula Ag54H
Magnetic moment -0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 100
slab_E -138.956
str_E -141.597
Random (unique) ID 4cd3769b803fdb101580c087231a1702
Username hecc
Volume of unit cell 2570.088 Ang3