C60H18

Axis x y z Periodic
1 18.919 -0.155 0.095 True
2 -0.156 18.650 0.195 True
3 0.095 0.195 18.837 True
Lengths: 18.919 18.652 18.838
Angles: 88.812 89.429 90.945
band structure
dos
Key Value
Uniqe row ID 127
Total energy -594.209 eV
Maximum force 0.406 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 738.804 au
Age 59.765 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 b9301ee47782930b6639a08f7374fa4c
Username mse-gucc
Volume of unit cell 6644.899 Ang3