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

NUMERICAL_ORBITAL
../potential/H_gga_8au_100Ry_2s1p.orb
../potential/O_gga_7au_100Ry_2s2p1d.orb


LATTICE_CONSTANT
1

LATTICE_VECTORS
28 0 0
0 28 0
0 0  28

ATOMIC_POSITIONS
Cartesian

H
0
2
-12.046787058887078 18.76558614676448 8.395247471328744 1 1 1
-14.228868795885418 20.61549300274637 7.611989524516571 1 1 1
O
0
1
-13.486789117423204 19.684192208418636 8.958321352749174 1 1 1
