ATOMIC_SPECIES
H    1.008  H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
H_gga_6au_60Ry_2s1p.orb

LATTICE_CONSTANT
1.889726

LATTICE_VECTORS
15.97980022430  0.000000000000  0.000000000000
0.000000000000  15.64039993290  0.000000000000
-0.76400291780  0.000000000000  15.66177137440

ATOMIC_POSITIONS
Direct

H 
1.000
1
0.5 0.5 0.5  1  1  1  mag 1.0

