ATOMIC_SPECIES
O 15.9994 O_ONCV_PBE-1.0.upf
H 1.00794 H_ONCV_PBE-1.0.upf
O_empty 15.9994 O_ONCV_PBE-1.0.upf
H_empty 1.00794 H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
O_gga_6au_60Ry_2s2p1d.orb
H_gga_8au_60Ry_2s1p.orb
O_gga_6au_60Ry_2s2p1d.orb
H_gga_8au_60Ry_2s1p.orb

LATTICE_CONSTANT
1.8897261246257702

LATTICE_VECTORS
20 0 0
0 20 0
0 0 20

ATOMIC_POSITIONS
Direct
O
0.0
1
0.428796175000 0.484554950000 0.500000000000 0 0 0
H
0.0
2
0.409633575000 0.528406100000 0.500000000000 0 0 0
0.476362675000 0.492316550000 0.500000000000 0 0 0
O_empty
0.0
1
0.573877775000 0.495854400000 0.500000000000 0 0 0
H_empty
0.0
2
0.590366425000 0.471593900000 0.462071950000 0 0 0
0.590366425000 0.471593900000 0.537928050000 0 0 0
