ATOMIC_SPECIES
C 6.000 ./C_ONCV_PBE-1.0.upf
O 8.000 ./O_ONCV_PBE-1.0.upf
H 1.000 ./H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
./C_gga_8au_100Ry_2s2p1d.orb
./O_gga_7au_100Ry_2s2p1d.orb
./H_gga_8au_100Ry_2s1p.orb

LATTICE_CONSTANT
1

LATTICE_VECTORS
   28.00000     0.00000     0.00000
    0.00000    28.00000     0.00000
    0.00000     0.00000    28.00000

ATOMIC_POSITIONS
Cartesian

C
0.0
2
  0.0055206   0.5914901  -0.0008138 1 1 1
 -1.2536393  -0.2553568  -0.0298006 1 1 1

O
0.0
1
  1.0878306  -0.3075547   0.0482298 1 1 1

H
0.0
6
  0.0628212   1.2837527  -0.8427886 1 1 1
  0.0060567   1.2303121   0.8853464 1 1 1
 -2.2182206   0.1898050  -0.0581601 1 1 1
 -0.9109717  -1.0539263  -0.7815958 1 1 1
 -1.1920095  -0.7424768   0.9219668 1 1 1
  1.8487985  -0.0286324  -0.5256902 1 1 1

