C60H24

Axis x y z Periodic
1 17.913 0.538 0.056 True
2 0.537 17.866 0.249 True
3 0.057 0.249 17.885 True
Lengths: 17.922 17.875 17.887
Angles: 88.401 89.615 86.557
band structure
dos
Key Value
Uniqe row ID 101
Total energy -617.594 eV
Maximum force 0.935 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.790 months
Items
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula C60H24
Number of atoms 84
Periodic boundary conditions [ True True True]
perms_num 1
Random (unique) ID 64eaa522bf3e4cff9704ac1b650e8505
Username mse-gucc
Volume of unit cell 5717.472 Ang3