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 561
Total energy -195.466 eV
Maximum force 0.007 eV/Ang
Maximum stress on unit cell 0.008 eV/Ang3
Sum of atomic masses in unit cell 3438.424 au
Age 14.511 months
Items
Dipole_val -3.370
ads_E -2.322
ads_site 1b
atom_E -0.299
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 2.025
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 -195.466
Random (unique) ID 20d0708820e3b1d778004e6483aedbdc
Username hecc
Volume of unit cell 1730.483 Ang3