Ag72Ne

Axis x y z Periodic
1 8.800 0.000 0.000 True
2 0.000 12.445 0.000 True
3 0.000 0.000 32.267 True
Lengths: 8.800 12.445 32.267
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 280
Total energy -183.649 eV
Maximum force 0.008 eV/Ang
Maximum stress on unit cell 0.005 eV/Ang3
Sum of atomic masses in unit cell 7786.690 au
Age 14.563 months
Items
Dipole_val -0.009
ads_E -0.008
ads_site 3b
atom_E -0.013
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 3.172
Chemical formula Ag72Ne
Magnetic moment -0.000 au
Number of atoms 73
Periodic boundary conditions [ True True True]
plane_index 110
slab_E -183.628
str_E -183.649
Random (unique) ID 15fedd03925c06a69cc737c15a391cf0
Username hecc
Volume of unit cell 3533.871 Ang3