Ag45He

Axis x y z Periodic
1 8.800 0.000 0.000 True
2 4.400 7.621 0.000 True
3 0.000 0.000 33.531 True
Lengths: 8.800 8.800 33.531
Angles: 90.000 90.000 60.000
band structure
dos
Key Value
Uniqe row ID 380
Total energy -116.340 eV
Maximum force 0.009 eV/Ang
Maximum stress on unit cell 0.006 eV/Ang3
Sum of atomic masses in unit cell 4858.072 au
Age 14.546 months
Items
Dipole_val -0.012
ads_E -0.025
ads_site 0t
atom_E 0.002
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 3.963
Chemical formula Ag45He
Magnetic moment 0.000 au
Number of atoms 46
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -116.318
str_E -116.340
Random (unique) ID 961cd23f452f000dc2b50c3be43113b0
Username hecc
Volume of unit cell 2248.827 Ang3