C60H24

Axis x y z Periodic
1 18.831 0.107 -0.083 True
2 0.107 18.908 -0.086 True
3 -0.083 -0.086 18.963 True
Lengths: 18.831 18.908 18.964
Angles: 90.523 90.507 89.349
band structure
dos
Key Value
Uniqe row ID 95
Total energy -620.151 eV
Maximum force 0.249 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 52.685 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 e9abfaee8de9d9a770ca1891ebd9d821
Username mse-gucc
Volume of unit cell 6751.488 Ang3