  &FORCE_EVAL
    METHOD Quickstep
    &DFT
      &QS
        METHOD PM3
      &END QS
      &SCF
        SCF_GUESS ATOMIC
      &END SCF
    &END DFT
    &SUBSYS
      &CELL
        ABC 5.0 5.0 5.0
        UNIT ANGSTROM
        PERIODIC NONE
      &END CELL
      &COORD
        O .00000000 .00000000 .00000000
        H 1.05000000 00000000 00000000
        H 26289900 1.01655502 00000000
      &END COORD
    &END SUBSYS
  &END FORCE_EVAL
  &GLOBAL
    PROJECT md
    RUN_TYPE MD
  &END GLOBAL
  &MOTION
    &MD
      ENSEMBLE NVE
      TEMP_TOL 50
      TIMESTEP 1.0
      STEPS 20000
      TEMPERATURE 300
    &END MD
  &END MOTION
