C60H24

Axis x y z Periodic
1 15.995 -0.047 -0.298 True
2 -0.047 16.611 0.063 True
3 -0.298 0.063 15.886 True
Lengths: 15.998 16.611 15.889
Angles: 89.550 92.145 90.335
band structure
dos
Key Value
Uniqe row ID 78
Total energy -619.735 eV
Maximum force 0.880 eV/Ang
Maximum stress on unit cell 0.001 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 662d37e8f4e711c09990cbd3689d6f93
Username mse-gucc
Volume of unit cell 4219.114 Ang3