C60H24

Axis x y z Periodic
1 17.082 -0.056 -0.353 True
2 -0.056 16.793 -0.152 True
3 -0.353 -0.151 16.914 True
Lengths: 17.085 16.794 16.918
Angles: 91.025 92.379 90.370
band structure
dos
Key Value
Uniqe row ID 66
Total energy -615.529 eV
Maximum force 0.613 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.763 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 a3a36d936b6e435b227a92b644151144
Username mse-gucc
Volume of unit cell 4849.195 Ang3