C60H24

Axis x y z Periodic
1 18.496 0.282 -0.098 True
2 0.282 18.785 -0.115 True
3 -0.098 -0.115 18.693 True
Lengths: 18.498 18.788 18.694
Angles: 90.708 90.610 88.263
band structure
dos
Key Value
Uniqe row ID 82
Total energy -620.472 eV
Maximum force 0.914 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.764 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 1b630c1c0193256deeb06bf26516c5bf
Username mse-gucc
Volume of unit cell 6493.137 Ang3