&FORCE_EVAL
  METHOD Fist
  &MM
@include pmeis_forcefield.inc    
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX  64
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC  10.936 10.936 10.936
    &END CELL
    &TOPOLOGY
      CONN_FILE ../sample_psf/uo2_2x2x2.psf
      CONNECTIVITY UPSF
      COORD_FILE ../sample_xyz/uo2_displ.xyz
      COORDINATE XYZ
    &END TOPOLOGY
    &KIND U
      MASS 238.03000
    &END
    &KIND O
      MASS 16.000
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT uo2_shell_nve_zbl
  PRINT_LEVEL LOW
  RUN_TYPE MD
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS  20
    TIMESTEP 0.5
    TEMPERATURE 300.0
    &PRINT
      &ENERGY
      &END
      &SHELL_ENERGY LOW
      &END
    &END PRINT
  &END MD
  &SHELL_OPT
    OPTIMIZER CG
    MAX_DR 0.02
    RMS_DR 0.01
    MAX_FORCE 0.0002
    RMS_FORCE 0.0001
    &CG
      &LINE_SEARCH
        TYPE 2PNT
        &2PNT
        &END
      &END
    &END
  &END
  &PRINT
    &TRAJECTORY
    &END
    &VELOCITIES
      &EACH
        MD 1000
      &END
    &END
    &STRESS
    &END
    &RESTART
      &EACH
        MD 5
      &END
    &END
    &RESTART_HISTORY
      &EACH
        MD 1000
      &END
    &END
  &END
&END MOTION
