C60H24

Axis x y z Periodic
1 16.687 0.133 0.119 True
2 0.133 16.682 -0.027 True
3 0.119 -0.027 16.599 True
Lengths: 16.688 16.682 16.599
Angles: 90.180 89.184 89.085
band structure
dos
Key Value
Uniqe row ID 96
Total energy -619.774 eV
Maximum force 0.567 eV/Ang
Maximum stress on unit cell 0.001 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 7ad4d975f0b3815d44d89def400144d3
Username mse-gucc
Volume of unit cell 4619.975 Ang3