&GLOBAL
  PROJECT c_17_bSn
  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
      #A5 (beta-Sn) & tI4 & I4_1/amd (#141) & Pearson (Alloys) 311
      A 5.83200000 .00000000 .00000000
      B .00000000 5.83200000 .00000000
      C 2.91600000 2.91600000 1.59060000
    &END CELL
    &COORD
      SCALED
      Sn  -.12500000  -.37500000   .25000000      .00000000 -1.45800000   .39765000
      Sn   .12500000   .37500000  -.25000000      .00000000  1.45800000  -.39765000
    &END COORD
    &PRINT
      &SYMMETRY
        CHECK_SYMMETRY 4/mmm
      &END SYMMETRY
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
