&GLOBAL
  PROJECT c_28_arsenic
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM6
      &SE
      &END SE
    &END QS
    &SCF
      MAX_SCF 0
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      #As (alpha) & A7 & hR2 & R(-3)m-D_{3d}^5 #166 & Pearson (Alloys) p. 559
      A 0.25712604 2.91596103 2.91596103
      B 2.91596103 0.25712604 2.91596103
      C 2.91596103 2.91596103 0.25712604
    &END CELL
    &COORD
      SCALED
      As  0.22553300  0.22553300  0.22553300     1.37328129  1.37328129  1.37328129
      As -0.22553300 -0.22553300 -0.22553300    -1.37328129 -1.37328129 -1.37328129
    &END COORD
    &PRINT
      &SYMMETRY
        CHECK_SYMMETRY 23
      &END SYMMETRY
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
