ATOMIC_SPECIES
H_empty_1	1.008	H_ONCV_PBE-1.0.upf
H			1.008	H_ONCV_PBE-1.0.upf
O_empty		15.9994	O_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
H_gga_8au_60Ry_2s1p.orb
H_gga_8au_60Ry_2s1p.orb
O_gga_6au_60Ry_2s2p1d.orb

LATTICE_CONSTANT
1.889725989

LATTICE_VECTORS
20 0 0
0 20 0
0 0 20

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

H_empty_1
0.5
1
0.9584	0.0000	0.0000	0 0 0

H
0.5
1
-0.2392	0.9281	0.0000	0 0 0

O_empty
0.5
1
0.0000 0.0000 0.0000 0 0 0
