C60H24

Axis x y z Periodic
1 18.464 0.249 0.021 True
2 0.248 18.595 0.117 True
3 0.021 0.117 18.228 True
Lengths: 18.466 18.597 18.229
Angles: 89.272 89.862 88.462
band structure
dos
Key Value
Uniqe row ID 68
Total energy -614.716 eV
Maximum force 0.566 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 749fdc23d7de1c0592c22ce542ad7477
Username mse-gucc
Volume of unit cell 6257.126 Ang3