&GLOBAL
  PROJECT water
  RUN_TYPE MD
&END GLOBAL
&FORCE_EVAL
  &PRINT
   &FORCES
   &END
  &END
  METHOD FIST
  &MM
    &FORCEFIELD
      &NONBONDED
      &NEQUIP
        ATOMS H O
        PARM_FILE_NAME NequIP/water-double.pth
        UNIT_COORDS angstrom
        UNIT_ENERGY eV
        UNIT_FORCES eV*angstrom^-1
      &END NEQUIP
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 9.8528 9.8528 9.8528
#      MULTIPLE_UNIT_CELL 4 4 4
    &END CELL
  &TOPOLOGY
#   MULTIPLE_UNIT_CELL 4 4 4
#     coordinates must be ordered by atomic number
      COORD_FILE_NAME ./H2O-32.xyz
      COORD_FILE_FORMAT XYZ
  &END
  &END SUBSYS
&END FORCE_EVAL
&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 0
    TIMESTEP 0.5
    TEMPERATURE 300
    &THERMOSTAT
      &CSVR
        TIMECON 10
      &END CSVR
    &END
  &END MD
&END MOTION
