C60H24

Axis x y z Periodic
1 17.024 -0.081 0.121 True
2 -0.080 17.501 0.227 True
3 0.121 0.227 15.956 True
Lengths: 17.025 17.503 15.958
Angles: 88.444 89.163 90.529
band structure
dos
Key Value
Uniqe row ID 135
Total energy -622.038 eV
Maximum force 1.208 eV/Ang
Maximum stress on unit cell 0.004 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.754 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 ee210e2a9bd60c0939b54a8eff8e3fef
Username mse-gucc
Volume of unit cell 4752.661 Ang3