File: Si-CP2K.inp

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&FORCE_EVAL
   &SUBSYS
      &CELL
         ABC [angstrom] 5.4661639157319968 5.4661639157319968 5.4661639157319968
         PERIODIC XYZ
      &END CELL
      &COORD
         SCALED
         Si 0.875  0.875  0.875
         Si 0.875  0.375  0.375
         Si 0.375  0.875  0.375
         Si 0.375  0.375  0.875
         Si 0.125  0.125  0.125
         Si 0.125  0.625  0.625
         Si 0.625  0.125  0.625
         Si 0.625  0.625  0.125
      &END COORD
   &END SUBSYS
&END FORCE_EVAL