ATOMIC_SPECIES
Si 28 Si_ONCV_PBE-1.0.upf upf201

NUMERICAL_ORBITAL
Si_gga_8au_60Ry_2s2p1d.orb
 
LATTICE_CONSTANT
10.2

LATTICE_VECTORS
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5

ATOMIC_POSITIONS
Direct 

Si
0.0
2	
0.00 0.00 0.00 1 1 1
0.251 0.251 0.251 1 1 1
