C16

Axis x y z Periodic
1 0.000 3.568 3.568 True
2 3.568 -0.000 3.568 True
3 3.568 3.568 0.000 True
Lengths: 5.047 5.047 5.047
Angles: 60.000 60.000 60.000
band structure
dos
Key Value
Uniqe row ID 127
Total energy -145.497 eV
Maximum force 0.000 eV/Ang
Maximum stress on unit cell 0.009 eV/Ang3
Sum of atomic masses in unit cell 192.176 au
Age 5.134 years
Items
C_rate 1.000
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula C16
gap 4.125
mean_energy 0.000
Number of atoms 16
Periodic boundary conditions [ True True True]
Random (unique) ID 440a9329014489646f48e5f95bd74232
Username mse-gucc
Volume of unit cell 90.883 Ang3