ATOMIC_SPECIES
H 1.008 H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
H_gga_6au_60Ry_1s.orb

LATTICE_CONSTANT
1.8897261254578281

LATTICE_VECTORS
0.000000 1.500000 1.500000
1.500000 0.000000 1.500000
1.500000 1.500000 0.000000

ATOMIC_POSITIONS
Direct

H
0.0
2
0.000000 0.000000 0.000000 0 0 0
0.500000 0.500000 0.500000 0 0 0
