C60H24

Axis x y z Periodic
1 19.879 -0.063 -0.023 True
2 -0.063 19.827 0.015 True
3 -0.023 0.015 19.772 True
Lengths: 19.879 19.828 19.772
Angles: 89.910 90.133 90.365
band structure
dos
Key Value
Uniqe row ID 80
Total energy -617.047 eV
Maximum force 0.064 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.763 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 e495680f519d12a32b9f2998784779f0
Username mse-gucc
Volume of unit cell 7793.170 Ang3