C60H24

Axis x y z Periodic
1 16.494 0.007 -0.427 True
2 0.007 16.258 0.291 True
3 -0.426 0.291 15.743 True
Lengths: 16.500 16.261 15.752
Angles: 87.916 93.033 89.979
band structure
dos
Key Value
Uniqe row ID 99
Total energy -621.312 eV
Maximum force 0.745 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.767 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 3bf288ffb65cab7ea0deaa8a1624ce3d
Username mse-gucc
Volume of unit cell 4217.401 Ang3