C60H24

Axis x y z Periodic
1 19.782 0.027 -0.044 True
2 0.027 19.802 -0.051 True
3 -0.045 -0.051 19.831 True
Lengths: 19.782 19.803 19.831
Angles: 90.295 90.258 89.842
band structure
dos
Key Value
Uniqe row ID 120
Total energy -615.559 eV
Maximum force 0.164 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.762 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 97402da7a9ca14d5178f991c875d5049
Username mse-gucc
Volume of unit cell 7768.387 Ang3