&SUBSYS
  &CELL
    PERIODIC NONE
    ABC 6. 6. 6.
  &END CELL
  &TOPOLOGY
    COORD_FILE_FORMAT XYZ
    COORD_FILE_NAME ${XYZFILE}
    &CENTER_COORDINATES ON
    &END CENTER_COORDINATES
  &END TOPOLOGY
  &KIND He
    BASIS_SET DZVP-MOLOPT-SR-GTH
    POTENTIAL GTH-PBE-q2
  &END KIND
&END SUBSYS
