C60H24

Axis x y z Periodic
1 15.979 0.461 -0.149 True
2 0.460 16.321 0.299 True
3 -0.147 0.302 14.730 True
Lengths: 15.986 16.330 14.734
Angles: 87.793 91.070 86.744
band structure
dos
Key Value
Uniqe row ID 144
Total energy -618.326 eV
Maximum force 0.363 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 744.852 au
Age 59.759 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 de2cb46f141d1019f51cc8cc43c7e773
Username mse-gucc
Volume of unit cell 3836.673 Ang3