ATOMIC_SPECIES
Si 28.0855 Si_dojo_nsoc.upf

NUMERICAL_ORBITAL
Si_dojo_6au_sz.orb

LATTICE_CONSTANT
1.889726877774355

LATTICE_VECTORS
0 2.71500000 2.71500000
2.71500000 0 2.71500000
2.71500000 2.71500000 0

ATOMIC_POSITIONS
Direct
Si
0
2
0.000000000000000 0.000000000000000 0.000000000000000 1 1 1
0.25 0.25 0.25 1 1 1
