C60H24

Axis x y z Periodic
1 15.140 0.000 -0.483 True
2 0.000 17.053 0.000 True
3 -0.479 0.000 16.137 True
Lengths: 15.148 17.053 16.144
Angles: 90.000 93.528 90.000
band structure
dos
Key Value
Uniqe row ID 41
Total energy -619.411 eV
Maximum force 0.342 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.755 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 4
Random (unique) ID e17d1aa9f6fca9e870effd0b715a8974
Username mse-gucc
Volume of unit cell 4162.465 Ang3