Cu54Li

Axis x y z Periodic
1 7.713 0.000 0.000 True
2 3.857 6.680 0.000 True
3 0.000 0.000 33.588 True
Lengths: 7.713 7.713 33.588
Angles: 90.000 90.000 60.000
band structure
dos
Key Value
Uniqe row ID 579
Total energy -195.366 eV
Maximum force 0.008 eV/Ang
Maximum stress on unit cell 0.008 eV/Ang3
Sum of atomic masses in unit cell 3438.424 au
Age 14.530 months
Items
Dipole_val -3.579
ads_E -2.222
ads_site 0t
atom_E -0.299
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 2.080
Chemical formula Cu54Li
Magnetic moment -0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -192.845
str_E -195.366
Random (unique) ID 59d607ef8e739ea3b97f91769c74d548
Username hecc
Volume of unit cell 1730.483 Ang3