C60H24

Axis x y z Periodic
1 19.202 0.060 0.013 True
2 0.060 19.482 -0.033 True
3 0.013 -0.033 19.536 True
Lengths: 19.202 19.482 19.536
Angles: 90.193 89.925 89.644
band structure
dos
Key Value
Uniqe row ID 121
Total energy -616.335 eV
Maximum force 0.268 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.766 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 2ffed71246b0cf3e11e00873a7f8da77
Username mse-gucc
Volume of unit cell 7308.251 Ang3