ATOMIC_SPECIES
H 1.008 H_ONCV_PBE-1.0.upf
O 15.9994 O_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
H_gga_6au_60Ry_2s1p.orb
O_gga_6au_60Ry_2s2p1d.orb

LATTICE_CONSTANT
10

LATTICE_VECTORS
1 0 0
0 1 0
0 0 1

ATOMIC_POSITIONS
Cartesian

H
0
2
0.2336137046291667 0.8630016418166666 0.7271997623458333 1 1 1
0.23417266949166665 0.9245341895916668 0.7207232227333333 1 1 1
O
0
1
0.20910677665833333 0.894927691625 0.7301984601833333 1 1 1
