C60H24

Axis x y z Periodic
1 18.545 0.107 0.051 True
2 0.107 18.956 -0.106 True
3 0.051 -0.106 18.992 True
Lengths: 18.546 18.957 18.992
Angles: 90.640 89.689 89.344
band structure
dos
Key Value
Uniqe row ID 119
Total energy -616.110 eV
Maximum force 0.348 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 2b2809750f53d7f55f9c97a72df0894b
Username mse-gucc
Volume of unit cell 6676.130 Ang3