ATOMIC_SPECIES
Ga 1   Ga_dojo_nsoc.upf
As 1   As_dojo_nsoc.upf 

LATTICE_CONSTANT
42.4 // add lattice constant, 10.58 ang

NUMERICAL_ORBITAL
../tools/PP_ORB/Ga_dojo.orb
../tools/PP_ORB/As_dojo.orb

LATTICE_VECTORS
0.5 0.5  0.0
0.0  0.5 0.5
0.5  0.0  0.5

ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.
Ga              //Element Label
0
256              //number of atom
0	0	0	0	0	0
0	0	0.25	0	0	0
0	0	0.5	0	0	0
0	0	0.75	0	0	0
0	0.25	0	0	0	0
0	0.25	0.25	0	0	0
0	0.25	0.5	0	0	0
0	0.25	0.75	0	0	0
0	0.5	0	0	0	0
0	0.5	0.25	0	0	0
0	0.5	0.5	0	0	0
0	0.5	0.75	0	0	0
0	0.75	0	0	0	0
0	0.75	0.25	0	0	0
0	0.75	0.5	0	0	0
0	0.75	0.75	0	0	0
0.25	0	0	0	0	0
0.25	0	0.25	0	0	0
0.25	0	0.5	0	0	0
0.25	0	0.75	0	0	0
0.25	0.25	0	0	0	0
0.25	0.25	0.25	0	0	0
0.25	0.25	0.5	0	0	0
0.25	0.25	0.75	0	0	0
0.25	0.5	0	0	0	0
0.25	0.5	0.25	0	0	0
0.25	0.5	0.5	0	0	0
0.25	0.5	0.75	0	0	0
0.25	0.75	0	0	0	0
0.25	0.75	0.25	0	0	0
0.25	0.75	0.5	0	0	0
0.25	0.75	0.75	0	0	0
0.5	0	0	0	0	0
0.5	0	0.25	0	0	0
0.5	0	0.5	0	0	0
0.5	0	0.75	0	0	0
0.5	0.25	0	0	0	0
0.5	0.25	0.25	0	0	0
0.5	0.25	0.5	0	0	0
0.5	0.25	0.75	0	0	0
0.5	0.5	0	0	0	0
0.5	0.5	0.25	0	0	0
0.5	0.5	0.5	0	0	0
0.5	0.5	0.75	0	0	0
0.5	0.75	0	0	0	0
0.5	0.75	0.25	0	0	0
0.5	0.75	0.5	0	0	0
0.5	0.75	0.75	0	0	0
0.75	0	0	0	0	0
0.75	0	0.25	0	0	0
0.75	0	0.5	0	0	0
0.75	0	0.75	0	0	0
0.75	0.25	0	0	0	0
0.75	0.25	0.25	0	0	0
0.75	0.25	0.5	0	0	0
0.75	0.25	0.75	0	0	0
0.75	0.5	0	0	0	0
0.75	0.5	0.25	0	0	0
0.75	0.5	0.5	0	0	0
0.75	0.5	0.75	0	0	0
0.75	0.75	0	0	0	0
0.75	0.75	0.25	0	0	0
0.75	0.75	0.5	0	0	0
0.75	0.75	0.75	0	0	0
0	0.125	0.125	0	0	0
0	0.125	0.375	0	0	0
0	0.125	0.625	0	0	0
0	0.125	0.875	0	0	0
0	0.375	0.125	0	0	0
0	0.375	0.375	0	0	0
0	0.375	0.625	0	0	0
0	0.375	0.875	0	0	0
0	0.625	0.125	0	0	0
0	0.625	0.375	0	0	0
0	0.625	0.625	0	0	0
0	0.625	0.875	0	0	0
0	0.875	0.125	0	0	0
0	0.875	0.375	0	0	0
0	0.875	0.625	0	0	0
0	0.875	0.875	0	0	0
0.25	0.125	0.125	0	0	0
0.25	0.125	0.375	0	0	0
0.25	0.125	0.625	0	0	0
0.25	0.125	0.875	0	0	0
0.25	0.375	0.125	0	0	0
0.25	0.375	0.375	0	0	0
0.25	0.375	0.625	0	0	0
0.25	0.375	0.875	0	0	0
0.25	0.625	0.125	0	0	0
0.25	0.625	0.375	0	0	0
0.25	0.625	0.625	0	0	0
0.25	0.625	0.875	0	0	0
0.25	0.875	0.125	0	0	0
0.25	0.875	0.375	0	0	0
0.25	0.875	0.625	0	0	0
0.25	0.875	0.875	0	0	0
0.5	0.125	0.125	0	0	0
0.5	0.125	0.375	0	0	0
0.5	0.125	0.625	0	0	0
0.5	0.125	0.875	0	0	0
0.5	0.375	0.125	0	0	0
0.5	0.375	0.375	0	0	0
0.5	0.375	0.625	0	0	0
0.5	0.375	0.875	0	0	0
0.5	0.625	0.125	0	0	0
0.5	0.625	0.375	0	0	0
0.5	0.625	0.625	0	0	0
0.5	0.625	0.875	0	0	0
0.5	0.875	0.125	0	0	0
0.5	0.875	0.375	0	0	0
0.5	0.875	0.625	0	0	0
0.5	0.875	0.875	0	0	0
0.75	0.125	0.125	0	0	0
0.75	0.125	0.375	0	0	0
0.75	0.125	0.625	0	0	0
0.75	0.125	0.875	0	0	0
0.75	0.375	0.125	0	0	0
0.75	0.375	0.375	0	0	0
0.75	0.375	0.625	0	0	0
0.75	0.375	0.875	0	0	0
0.75	0.625	0.125	0	0	0
0.75	0.625	0.375	0	0	0
0.75	0.625	0.625	0	0	0
0.75	0.625	0.875	0	0	0
0.75	0.875	0.125	0	0	0
0.75	0.875	0.375	0	0	0
0.75	0.875	0.625	0	0	0
0.75	0.875	0.875	0	0	0
0.125	0	0.125	0	0	0
0.125	0	0.375	0	0	0
0.125	0	0.625	0	0	0
0.125	0	0.875	0	0	0
0.125	0.25	0.125	0	0	0
0.125	0.25	0.375	0	0	0
0.125	0.25	0.625	0	0	0
0.125	0.25	0.875	0	0	0
0.125	0.5	0.125	0	0	0
0.125	0.5	0.375	0	0	0
0.125	0.5	0.625	0	0	0
0.125	0.5	0.875	0	0	0
0.125	0.75	0.125	0	0	0
0.125	0.75	0.375	0	0	0
0.125	0.75	0.625	0	0	0
0.125	0.75	0.875	0	0	0
0.375	0	0.125	0	0	0
0.375	0	0.375	0	0	0
0.375	0	0.625	0	0	0
0.375	0	0.875	0	0	0
0.375	0.25	0.125	0	0	0
0.375	0.25	0.375	0	0	0
0.375	0.25	0.625	0	0	0
0.375	0.25	0.875	0	0	0
0.375	0.5	0.125	0	0	0
0.375	0.5	0.375	0	0	0
0.375	0.5	0.625	0	0	0
0.375	0.5	0.875	0	0	0
0.375	0.75	0.125	0	0	0
0.375	0.75	0.375	0	0	0
0.375	0.75	0.625	0	0	0
0.375	0.75	0.875	0	0	0
0.625	0	0.125	0	0	0
0.625	0	0.375	0	0	0
0.625	0	0.625	0	0	0
0.625	0	0.875	0	0	0
0.625	0.25	0.125	0	0	0
0.625	0.25	0.375	0	0	0
0.625	0.25	0.625	0	0	0
0.625	0.25	0.875	0	0	0
0.625	0.5	0.125	0	0	0
0.625	0.5	0.375	0	0	0
0.625	0.5	0.625	0	0	0
0.625	0.5	0.875	0	0	0
0.625	0.75	0.125	0	0	0
0.625	0.75	0.375	0	0	0
0.625	0.75	0.625	0	0	0
0.625	0.75	0.875	0	0	0
0.875	0	0.125	0	0	0
0.875	0	0.375	0	0	0
0.875	0	0.625	0	0	0
0.875	0	0.875	0	0	0
0.875	0.25	0.125	0	0	0
0.875	0.25	0.375	0	0	0
0.875	0.25	0.625	0	0	0
0.875	0.25	0.875	0	0	0
0.875	0.5	0.125	0	0	0
0.875	0.5	0.375	0	0	0
0.875	0.5	0.625	0	0	0
0.875	0.5	0.875	0	0	0
0.875	0.75	0.125	0	0	0
0.875	0.75	0.375	0	0	0
0.875	0.75	0.625	0	0	0
0.875	0.75	0.875	0	0	0
0.125	0.125	0	0	0	0
0.125	0.125	0.25	0	0	0
0.125	0.125	0.5	0	0	0
0.125	0.125	0.75	0	0	0
0.125	0.375	0	0	0	0
0.125	0.375	0.25	0	0	0
0.125	0.375	0.5	0	0	0
0.125	0.375	0.75	0	0	0
0.125	0.625	0	0	0	0
0.125	0.625	0.25	0	0	0
0.125	0.625	0.5	0	0	0
0.125	0.625	0.75	0	0	0
0.125	0.875	0	0	0	0
0.125	0.875	0.25	0	0	0
0.125	0.875	0.5	0	0	0
0.125	0.875	0.75	0	0	0
0.375	0.125	0	0	0	0
0.375	0.125	0.25	0	0	0
0.375	0.125	0.5	0	0	0
0.375	0.125	0.75	0	0	0
0.375	0.375	0	0	0	0
0.375	0.375	0.25	0	0	0
0.375	0.375	0.5	0	0	0
0.375	0.375	0.75	0	0	0
0.375	0.625	0	0	0	0
0.375	0.625	0.25	0	0	0
0.375	0.625	0.5	0	0	0
0.375	0.625	0.75	0	0	0
0.375	0.875	0	0	0	0
0.375	0.875	0.25	0	0	0
0.375	0.875	0.5	0	0	0
0.375	0.875	0.75	0	0	0
0.625	0.125	0	0	0	0
0.625	0.125	0.25	0	0	0
0.625	0.125	0.5	0	0	0
0.625	0.125	0.75	0	0	0
0.625	0.375	0	0	0	0
0.625	0.375	0.25	0	0	0
0.625	0.375	0.5	0	0	0
0.625	0.375	0.75	0	0	0
0.625	0.625	0	0	0	0
0.625	0.625	0.25	0	0	0
0.625	0.625	0.5	0	0	0
0.625	0.625	0.75	0	0	0
0.625	0.875	0	0	0	0
0.625	0.875	0.25	0	0	0
0.625	0.875	0.5	0	0	0
0.625	0.875	0.75	0	0	0
0.875	0.125	0	0	0	0
0.875	0.125	0.25	0	0	0
0.875	0.125	0.5	0	0	0
0.875	0.125	0.75	0	0	0
0.875	0.375	0	0	0	0
0.875	0.375	0.25	0	0	0
0.875	0.375	0.5	0	0	0
0.875	0.375	0.75	0	0	0
0.875	0.625	0	0	0	0
0.875	0.625	0.25	0	0	0
0.875	0.625	0.5	0	0	0
0.875	0.625	0.75	0	0	0
0.875	0.875	0	0	0	0
0.875	0.875	0.25	0	0	0
0.875	0.875	0.5	0	0	0
0.875	0.875	0.75	0	0	0

As
0
256
0.0625	0.0625	0.0625	0	0	0
0.0625	0.0625	0.3125	0	0	0
0.0625	0.0625	0.5625	0	0	0
0.0625	0.0625	0.8125	0	0	0
0.0625	0.3125	0.0625	0	0	0
0.0625	0.3125	0.3125	0	0	0
0.0625	0.3125	0.5625	0	0	0
0.0625	0.3125	0.8125	0	0	0
0.0625	0.5625	0.0625	0	0	0
0.0625	0.5625	0.3125	0	0	0
0.0625	0.5625	0.5625	0	0	0
0.0625	0.5625	0.8125	0	0	0
0.0625	0.8125	0.0625	0	0	0
0.0625	0.8125	0.3125	0	0	0
0.0625	0.8125	0.5625	0	0	0
0.0625	0.8125	0.8125	0	0	0
0.3125	0.0625	0.0625	0	0	0
0.3125	0.0625	0.3125	0	0	0
0.3125	0.0625	0.5625	0	0	0
0.3125	0.0625	0.8125	0	0	0
0.3125	0.3125	0.0625	0	0	0
0.3125	0.3125	0.3125	0	0	0
0.3125	0.3125	0.5625	0	0	0
0.3125	0.3125	0.8125	0	0	0
0.3125	0.5625	0.0625	0	0	0
0.3125	0.5625	0.3125	0	0	0
0.3125	0.5625	0.5625	0	0	0
0.3125	0.5625	0.8125	0	0	0
0.3125	0.8125	0.0625	0	0	0
0.3125	0.8125	0.3125	0	0	0
0.3125	0.8125	0.5625	0	0	0
0.3125	0.8125	0.8125	0	0	0
0.5625	0.0625	0.0625	0	0	0
0.5625	0.0625	0.3125	0	0	0
0.5625	0.0625	0.5625	0	0	0
0.5625	0.0625	0.8125	0	0	0
0.5625	0.3125	0.0625	0	0	0
0.5625	0.3125	0.3125	0	0	0
0.5625	0.3125	0.5625	0	0	0
0.5625	0.3125	0.8125	0	0	0
0.5625	0.5625	0.0625	0	0	0
0.5625	0.5625	0.3125	0	0	0
0.5625	0.5625	0.5625	0	0	0
0.5625	0.5625	0.8125	0	0	0
0.5625	0.8125	0.0625	0	0	0
0.5625	0.8125	0.3125	0	0	0
0.5625	0.8125	0.5625	0	0	0
0.5625	0.8125	0.8125	0	0	0
0.8125	0.0625	0.0625	0	0	0
0.8125	0.0625	0.3125	0	0	0
0.8125	0.0625	0.5625	0	0	0
0.8125	0.0625	0.8125	0	0	0
0.8125	0.3125	0.0625	0	0	0
0.8125	0.3125	0.3125	0	0	0
0.8125	0.3125	0.5625	0	0	0
0.8125	0.3125	0.8125	0	0	0
0.8125	0.5625	0.0625	0	0	0
0.8125	0.5625	0.3125	0	0	0
0.8125	0.5625	0.5625	0	0	0
0.8125	0.5625	0.8125	0	0	0
0.8125	0.8125	0.0625	0	0	0
0.8125	0.8125	0.3125	0	0	0
0.8125	0.8125	0.5625	0	0	0
0.8125	0.8125	0.8125	0	0	0
0.187499995	0.187499995	0.0625	0	0	0
0.187499995	0.187499995	0.3125	0	0	0
0.187499995	0.187499995	0.5625	0	0	0
0.187499995	0.187499995	0.8125	0	0	0
0.187499995	0.437499995	0.0625	0	0	0
0.187499995	0.437499995	0.3125	0	0	0
0.187499995	0.437499995	0.5625	0	0	0
0.187499995	0.437499995	0.8125	0	0	0
0.187499995	0.687499995	0.0625	0	0	0
0.187499995	0.687499995	0.3125	0	0	0
0.187499995	0.687499995	0.5625	0	0	0
0.187499995	0.687499995	0.8125	0	0	0
0.187499995	0.937499995	0.0625	0	0	0
0.187499995	0.937499995	0.3125	0	0	0
0.187499995	0.937499995	0.5625	0	0	0
0.187499995	0.937499995	0.8125	0	0	0
0.437499995	0.187499995	0.0625	0	0	0
0.437499995	0.187499995	0.3125	0	0	0
0.437499995	0.187499995	0.5625	0	0	0
0.437499995	0.187499995	0.8125	0	0	0
0.437499995	0.437499995	0.0625	0	0	0
0.437499995	0.437499995	0.3125	0	0	0
0.437499995	0.437499995	0.5625	0	0	0
0.437499995	0.437499995	0.8125	0	0	0
0.437499995	0.687499995	0.0625	0	0	0
0.437499995	0.687499995	0.3125	0	0	0
0.437499995	0.687499995	0.5625	0	0	0
0.437499995	0.687499995	0.8125	0	0	0
0.437499995	0.937499995	0.0625	0	0	0
0.437499995	0.937499995	0.3125	0	0	0
0.437499995	0.937499995	0.5625	0	0	0
0.437499995	0.937499995	0.8125	0	0	0
0.687499995	0.187499995	0.0625	0	0	0
0.687499995	0.187499995	0.3125	0	0	0
0.687499995	0.187499995	0.5625	0	0	0
0.687499995	0.187499995	0.8125	0	0	0
0.687499995	0.437499995	0.0625	0	0	0
0.687499995	0.437499995	0.3125	0	0	0
0.687499995	0.437499995	0.5625	0	0	0
0.687499995	0.437499995	0.8125	0	0	0
0.687499995	0.687499995	0.0625	0	0	0
0.687499995	0.687499995	0.3125	0	0	0
0.687499995	0.687499995	0.5625	0	0	0
0.687499995	0.687499995	0.8125	0	0	0
0.687499995	0.937499995	0.0625	0	0	0
0.687499995	0.937499995	0.3125	0	0	0
0.687499995	0.937499995	0.5625	0	0	0
0.687499995	0.937499995	0.8125	0	0	0
0.937499995	0.187499995	0.0625	0	0	0
0.937499995	0.187499995	0.3125	0	0	0
0.937499995	0.187499995	0.5625	0	0	0
0.937499995	0.187499995	0.8125	0	0	0
0.937499995	0.437499995	0.0625	0	0	0
0.937499995	0.437499995	0.3125	0	0	0
0.937499995	0.437499995	0.5625	0	0	0
0.937499995	0.437499995	0.8125	0	0	0
0.937499995	0.687499995	0.0625	0	0	0
0.937499995	0.687499995	0.3125	0	0	0
0.937499995	0.687499995	0.5625	0	0	0
0.937499995	0.687499995	0.8125	0	0	0
0.937499995	0.937499995	0.0625	0	0	0
0.937499995	0.937499995	0.3125	0	0	0
0.937499995	0.937499995	0.5625	0	0	0
0.937499995	0.937499995	0.8125	0	0	0
0.187499995	0.0625	0.187499995	0	0	0
0.187499995	0.0625	0.437499995	0	0	0
0.187499995	0.0625	0.687499995	0	0	0
0.187499995	0.0625	0.937499995	0	0	0
0.187499995	0.3125	0.187499995	0	0	0
0.187499995	0.3125	0.437499995	0	0	0
0.187499995	0.3125	0.687499995	0	0	0
0.187499995	0.3125	0.937499995	0	0	0
0.187499995	0.5625	0.187499995	0	0	0
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