Au54Si

Axis x y z Periodic
1 8.895 0.000 0.000 True
2 0.000 8.895 0.000 True
3 0.000 0.000 33.546 True
Lengths: 8.895 8.895 33.546
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 32
Total energy -169.936 eV
Maximum force 0.004 eV/Ang
Maximum stress on unit cell 0.012 eV/Ang3
Sum of atomic masses in unit cell 10664.280 au
Age 14.530 months
Items
Dipole_val -0.547
ads_E -4.042
ads_site 1b
atom_E -0.830
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.628
Chemical formula Au54Si
Magnetic moment -0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 100
slab_E -165.064
str_E -169.936
Random (unique) ID 2315b80e1dab0acbd1804e91f45c5fc1
Username hecc
Volume of unit cell 2654.442 Ang3