C60H18

Axis x y z Periodic
1 17.006 0.056 0.402 True
2 0.056 15.724 0.300 True
3 0.402 0.301 16.022 True
Lengths: 17.011 15.727 16.030
Angles: 87.826 87.207 89.585
band structure
dos
Key Value
Uniqe row ID 250
Total energy -595.859 eV
Maximum force 0.316 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 738.804 au
Age 59.768 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 f144fe887381470a6c0b7e3877e0515a
Username mse-gucc
Volume of unit cell 4280.374 Ang3