C60H18

Axis x y z Periodic
1 19.509 -0.093 -0.061 True
2 -0.093 19.158 -0.107 True
3 -0.061 -0.107 19.102 True
Lengths: 19.509 19.158 19.102
Angles: 90.639 90.362 90.553
band structure
dos
Key Value
Uniqe row ID 26
Total energy -593.061 eV
Maximum force 0.495 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 738.804 au
Age 59.766 months
Items
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula C60H18
Number of atoms 78
Periodic boundary conditions [ True True True]
perms_num 1
Random (unique) ID 3a64be0b2eaba39b0bb6fbf40a692863
Username mse-gucc
Volume of unit cell 7138.644 Ang3