ATOMIC_SPECIES
Si 1.000 Si_dojo_nsoc.upf

NUMERICAL_ORBITAL
Si_dojo_6au.orb

LATTICE_CONSTANT
1.889766

LATTICE_VECTORS
0.0 2.708337 2.708337
2.708337 0.0 2.708337
2.708337 2.708337 0.0

ATOMIC_POSITIONS
Direct

Si
0.0
2
0.125	0.125	0.125	1 1 1
0.975	0.875	0.875	1 1 1
