C60H24

Axis x y z Periodic
1 18.947 0.176 0.028 True
2 0.176 19.199 0.061 True
3 0.028 0.061 19.208 True
Lengths: 18.948 19.200 19.208
Angles: 89.634 89.833 88.940
band structure
dos
Key Value
Uniqe row ID 37
Total energy -616.110 eV
Maximum force 0.234 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 cabcf17ae151553471e401a274832d4f
Username mse-gucc
Volume of unit cell 6986.559 Ang3