ATOMIC_SPECIES
H 1.008 H_ONCV_PBE-1.0.upf
C 12.01 C_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1.88972612546

LATTICE_VECTORS
9.50000379042 0 0 #latvec1
0 9.50000379042 0 #latvec2
0 0 9.50000379042 #latvec3

ATOMIC_POSITIONS
Direct

H #label
0 #magnetism
4 #number of atoms
0.540930980325 0.402075031383 0.353895874486 1 1 1 0 0 0
0.385586980814 0.481402417362 0.437898545951 1 1 1 0 0 0
0.556131217776 0.57347946396 0.442495090138 1 1 1 0 0 0
0.530202220323 0.412321251956 0.546677526283 1 1 1 0 0 0

C #label
0 #magnetism
1 #number of atoms
0.503163091902 0.467364749224 0.445258850036 1 1 1 0 0 0
