&GLOBAL
  PROJECT Si
  RUN_TYPE MD
&END GLOBAL
&FORCE_EVAL
  &PRINT
   &FORCES
   &END
  &END
  METHOD FIST
  &MM
    &FORCEFIELD
      &NONBONDED
      &ALLEGRO
        ATOMS Si
        PARM_FILE_NAME Allegro/si-deployed.pth
        UNIT_COORDS angstrom
        UNIT_ENERGY eV
        UNIT_FORCES eV*angstrom^-1
      &END ALLEGRO 
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.861999859992501 10.861999859992501 10.861999859992501
#      MULTIPLE_UNIT_CELL 4 4 4
    &END CELL
  &TOPOLOGY 
    COORD_FILE_FORMAT XYZ
#   coordinates must be ordered by atomic number
    COORD_FILE_NAME si_input.xyz
#   MULTIPLE_UNIT_CELL 4 4 4
  &END
  &END SUBSYS
&END FORCE_EVAL

&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 0
    TIMESTEP 1
    TEMPERATURE 300.0
    &THERMOSTAT
       REGION GLOBAL
       TYPE CSVR
       &CSVR
         TIMECON 100.
       &END
    &END
  &END MD
  &PRINT
   &FORCES
    &EACH
     MD 1
    &END
    UNIT eV*angstrom^-1
   &END
  &END
&END MOTION
