ATOMIC_SPECIES
H 1 ../potential/H_ONCV_PBE-1.0.upf
O 15.999 ../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
1.889716

LATTICE_VECTORS
9.8773532935 0.000000 0.000000
0.000000 9.8773532935 0.000000
0.000000 0.000000 9.8773532935

ATOMIC_POSITIONS
Cartesian

H
0.0
64
8.26E+00	4.04E-01	9.45E-01
8.63E+00	1.70E+00	1.57E+00
3.94E+00	6.66E+00	1.40E-01
4.77E+00	6.09E+00	1.42E+00
1.50E+00	2.38E+00	6.02E+00
1.54E+00	2.98E+00	4.55E+00
1.27E+00	4.09E+00	2.15E+00
7.63E-02	4.05E+00	3.32E+00
8.70E+00	9.63E+00	5.03E+00
7.11E+00	9.83E+00	4.82E+00
8.23E-01	3.64E+00	1.09E-01
1.90E+00	2.56E+00	4.09E-01
7.38E+00	5.42E+00	5.99E+00
8.37E+00	5.18E+00	7.15E+00
5.96E+00	1.21E-01	3.03E+00
5.58E+00	1.30E+00	4.03E+00
2.73E+00	5.90E+00	8.09E+00
2.38E+00	7.47E+00	8.71E+00
6.25E+00	8.20E+00	5.05E-01
7.77E+00	8.44E+00	0.00E+00
3.33E+00	6.04E+00	4.39E+00
1.89E+00	5.44E+00	4.18E+00
1.76E+00	9.13E+00	4.12E+00
2.94E+00	8.50E+00	4.83E+00
6.89E+00	1.59E+00	9.42E+00
6.93E+00	1.99E+00	7.93E+00
9.80E+00	7.30E+00	2.23E+00
1.42E+00	7.83E+00	2.58E+00
6.03E+00	7.12E+00	5.15E+00
7.43E+00	7.71E+00	5.04E+00
3.70E+00	4.09E-01	6.95E-01
3.87E+00	1.82E+00	1.41E-01
4.23E+00	7.28E+00	6.49E+00
4.75E+00	8.69E+00	6.50E+00
5.79E+00	5.45E-01	8.34E+00
4.32E+00	0.00E+00	8.46E+00
9.54E+00	8.75E+00	8.57E+00
8.40E+00	9.11E+00	7.45E+00
8.50E+00	4.99E+00	1.57E+00
7.94E+00	3.76E+00	7.31E-01
5.30E+00	3.16E+00	6.78E+00
6.50E+00	4.00E+00	7.35E+00
1.50E+00	9.58E+00	9.36E+00
9.88E-01	8.40E+00	5.20E-01
9.45E+00	6.58E+00	8.28E+00
9.12E+00	5.32E+00	9.23E+00
7.90E+00	2.50E+00	4.09E+00
8.08E+00	3.82E+00	4.99E+00
9.47E+00	2.86E+00	7.93E+00
9.81E+00	1.47E+00	8.01E+00
7.63E+00	6.69E+00	3.42E+00
7.65E+00	7.32E+00	2.01E+00
0.00E+00	4.42E-01	3.13E+00
6.35E-01	1.12E+00	4.35E+00
4.83E+00	1.07E+00	6.30E+00
3.65E+00	1.89E+00	5.56E+00
3.53E+00	4.22E+00	6.40E-02
4.78E+00	3.99E+00	9.11E+00
6.02E+00	1.79E+00	1.76E+00
5.91E+00	3.19E+00	8.63E-01
3.75E+00	9.28E+00	2.80E+00
4.46E+00	8.39E+00	1.67E+00
1.29E+00	4.72E+00	7.85E+00
1.99E+00	4.84E+00	6.51E+00


O
0.0
32
8.97E+00	8.14E-01	1.48E+00
4.47E+00	6.95E+00	9.06E-01
1.89E+00	2.23E+00	5.14E+00
1.08E+00	4.20E+00	3.13E+00
7.79E+00	9.36E+00	5.34E+00
1.59E+00	3.43E+00	6.47E-01
7.77E+00	4.70E+00	6.54E+00
6.28E+00	9.32E-01	3.41E+00
3.05E+00	6.70E+00	8.69E+00
7.16E+00	8.41E+00	7.68E-01
2.56E+00	5.73E+00	4.86E+00
2.59E+00	8.70E+00	3.91E+00
7.27E+00	1.34E+00	8.57E+00
7.50E-01	7.73E+00	1.84E+00
6.95E+00	6.81E+00	4.97E+00
3.25E+00	1.06E+00	5.36E-02
4.46E+00	8.01E+00	5.87E+00
5.07E+00	1.88E-01	7.84E+00
8.62E+00	8.51E+00	8.22E+00
8.63E+00	4.47E+00	7.37E-01
5.69E+00	3.47E+00	7.58E+00
1.16E+00	8.65E+00	9.39E+00
9.50E+00	5.64E+00	8.38E+00
8.33E+00	3.30E+00	4.19E+00
3.54E-01	2.28E+00	7.89E+00
8.05E+00	6.59E+00	2.55E+00
1.91E-01	2.46E-01	4.07E+00
4.62E+00	1.69E+00	5.58E+00
4.51E+00	4.28E+00	9.19E-02
6.34E+00	2.31E+00	9.84E-01
4.42E+00	9.26E+00	2.08E+00
2.12E+00	4.49E+00	7.39E+00


