C60H24

Axis x y z Periodic
1 17.532 -0.150 -0.358 True
2 -0.150 17.077 0.155 True
3 -0.358 0.154 17.740 True
Lengths: 17.536 17.078 17.745
Angles: 88.972 92.327 91.004
band structure
dos
Key Value
Uniqe row ID 109
Total energy -618.910 eV
Maximum force 0.752 eV/Ang
Maximum stress on unit cell 0.000 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.767 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 26ff3998e18f9077a5e12c460eee940b
Username mse-gucc
Volume of unit cell 5308.214 Ang3