ATOMIC_SPECIES
Si 14.000 ../../PP_ORB/Si_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../../PP_ORB/Si_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
0.99966

LATTICE_VECTORS
 40.8000000  40.8000000   0.0000000
 20.4000000   0.0000000  20.4000000
  0.0000000  20.4000000  20.4000000

ATOMIC_POSITIONS
Direct

Si
0.0
256
  0.0000000   0.0000000   0.0000000 1 1 1
  0.0312500   0.0625000   0.0625000 1 1 1
  0.0000000   0.0000000   0.2500000 1 1 1
  0.0312500   0.0625000   0.3125000 1 1 1
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  0.0000000   0.2500000   0.2500000 1 1 1
  0.0312500   0.3125000   0.3125000 1 1 1
  0.1250000   0.0000000   0.0000000 1 1 1
  0.1562500   0.0625000   0.0625000 1 1 1
  0.1250000   0.0000000   0.2500000 1 1 1
  0.1562500   0.0625000   0.3125000 1 1 1
  0.1250000   0.2500000   0.0000000 1 1 1
  0.1562500   0.3125000   0.0625000 1 1 1
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  0.1250000   0.7500000   0.7500000 1 1 1
  0.1562500   0.8125000   0.8125000 1 1 1
  0.2500000   0.0000000   0.0000000 1 1 1
  0.2812500   0.0625000   0.0625000 1 1 1
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  0.2812500   0.0625000   0.3125000 1 1 1
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  0.2812500   0.3125000   0.0625000 1 1 1
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  0.2812500   0.3125000   0.3125000 1 1 1
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  0.2812500   0.0625000   0.5625000 1 1 1
  0.2500000   0.0000000   0.7500000 1 1 1
  0.2812500   0.0625000   0.8125000 1 1 1
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  0.2812500   0.3125000   0.5625000 1 1 1
  0.2500000   0.2500000   0.7500000 1 1 1
  0.2812500   0.3125000   0.8125000 1 1 1
  0.3750000   0.0000000   0.5000000 1 1 1
  0.4062500   0.0625000   0.5625000 1 1 1
  0.3750000   0.0000000   0.7500000 1 1 1
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  0.2812500   0.5625000   0.0625000 1 1 1
  0.2500000   0.5000000   0.2500000 1 1 1
  0.2812500   0.5625000   0.3125000 1 1 1
  0.2500000   0.7500000   0.0000000 1 1 1
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  0.2812500   0.8125000   0.3125000 1 1 1
  0.3750000   0.5000000   0.0000000 1 1 1
  0.4062500   0.5625000   0.0625000 1 1 1
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  0.4062500   0.5625000   0.3125000 1 1 1
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  0.4062500   0.8125000   0.0625000 1 1 1
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  0.2812500   0.8125000   0.8125000 1 1 1
  0.3750000   0.5000000   0.5000000 1 1 1
  0.4062500   0.5625000   0.5625000 1 1 1
  0.3750000   0.5000000   0.7500000 1 1 1
  0.4062500   0.5625000   0.8125000 1 1 1
  0.3750000   0.7500000   0.5000000 1 1 1
  0.4062500   0.8125000   0.5625000 1 1 1
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  0.4062500   0.8125000   0.8125000 1 1 1
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  0.5312500   0.0625000   0.0625000 1 1 1
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  0.5312500   0.0625000   0.3125000 1 1 1
  0.5000000   0.2500000   0.0000000 1 1 1
  0.5312500   0.3125000   0.0625000 1 1 1
  0.5000000   0.2500000   0.2500000 1 1 1
  0.5312500   0.3125000   0.3125000 1 1 1
  0.6250000   0.0000000   0.0000000 1 1 1
  0.6562500   0.0625000   0.0625000 1 1 1
  0.6250000   0.0000000   0.2500000 1 1 1
  0.6562500   0.0625000   0.3125000 1 1 1
  0.6250000   0.2500000   0.0000000 1 1 1
  0.6562500   0.3125000   0.0625000 1 1 1
  0.6250000   0.2500000   0.2500000 1 1 1
  0.6562500   0.3125000   0.3125000 1 1 1
  0.5000000   0.0000000   0.5000000 1 1 1
  0.5312500   0.0625000   0.5625000 1 1 1
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