C60H18

Axis x y z Periodic
1 19.085 -0.051 -0.060 True
2 -0.051 18.791 0.060 True
3 -0.060 0.060 18.888 True
Lengths: 19.085 18.791 18.888
Angles: 89.634 90.363 90.310
band structure
dos
Key Value
Uniqe row ID 182
Total energy -595.631 eV
Maximum force 0.380 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 738.804 au
Age 59.763 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 39b6d5d7773ce277758ce02467fe2626
Username mse-gucc
Volume of unit cell 6773.446 Ang3