ATOMIC_SPECIES
C 12.011 C_ONCV_PBE-1.0.upf
O 15.9994 O_ONCV_PBE-1.0.upf
H 1.00794 H_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1.8897261246257702

LATTICE_VECTORS
4.920000000000 0.000000000000 0.000000000000
-2.460000000000 4.260844986619 0.000000000000
0.000000000000 -0.000000000000 20.000000000000

ATOMIC_POSITIONS
Direct
C
0.0
8
0.000000000000 0.000000000000 0.500000000000 0 0 0
0.333333333333 0.166666666667 0.500000000000 0 0 0
0.000000000000 0.500000000000 0.500000000000 0 0 0
0.333333333333 0.666666666667 0.500000000000 0 0 0
0.500000000000 0.000000000000 0.500000000000 0 0 0
0.833333333333 0.166666666667 0.500000000000 0 0 0
0.500000000000 0.500000000000 0.500000000000 0 0 0
0.833333333333 0.666666666667 0.500000000000 0 0 0
O
0.0
2
0.500000000000 0.500000000000 0.640000000000 1 1 1
0.500000000000 0.500000000000 0.360000000000 1 1 1
H
0.0
4
0.589564276851 0.679128553702 0.610184550000 1 1 1
0.410435723149 0.320871446298 0.610184550000 1 1 1
0.589564276851 0.679128553702 0.389815450000 1 1 1
0.410435723149 0.320871446298 0.389815450000 1 1 1
