&GLOBAL
 FLUSH_SHOULD_FLUSH
 PRINT_LEVEL low
 PROJECT geo_opt_bfgs
 RUN_TYPE geo_opt
 WALLTIME 600
&END GLOBAL

&MOTION
 &GEO_OPT
  OPTIMIZER BFGS
  MAX_ITER  200
  MAX_DR    0.001
  RMS_DR    0.0003
  MAX_FORCE 0.0001
  RMS_FORCE 0.00003
  &BFGS
   USE_MODEL_HESSIAN yes
  &END BFGS
 &END GEO_OPT
 &PRINT
  &TRAJECTORY on
   FORMAT xyz
   &EACH
    GEO_OPT 1
   &END EACH
  &END TRAJECTORY
 &END PRINT
&END MOTION

&FORCE_EVAL
 METHOD Fist
 STRESS_TENSOR ANALYTICAL
 &MM
    &FORCEFIELD
      &CHARGE
        ATOM Ar
        CHARGE 0.0
      &END
      &NONBONDED
        &LENNARD-JONES
          atoms Ar Ar
          EPSILON 119.8
          SIGMA 3.405
          RCUT 8.4
        &END LENNARD-JONES
      &END NONBONDED
      &CHARGE
        ATOM Kr
        CHARGE 0.0
      &END CHARGE
    &END FORCEFIELD
  &POISSON
   PERIODIC NONE
   &EWALD
    EWALD_TYPE none
   &END EWALD
  &END POISSON
  &PRINT
   &FF_INFO OFF
    SPLINE_DATA
    SPLINE_INFO
   &END FF_INFO
  &END PRINT
 &END MM
 &PRINT
  &FORCES off
  &END FORCES
  &GRID_INFORMATION
  &END GRID_INFORMATION
  &PROGRAM_RUN_INFO
   &EACH
    GEO_OPT 1
   &END EACH
  &END PROGRAM_RUN_INFO
  &STRESS_TENSOR
   &EACH
    GEO_OPT 1
   &END EACH
  &END STRESS_TENSOR
 &END PRINT
 &SUBSYS
  &CELL
   A      100 0 0
   B      0   100 0
   C      0 0 100
   PERIODIC NONE
  &END CELL
  &TOPOLOGY
      COORD_FILE_NAME in.xyz
      COORDINATE xyz
  &END
  &PRINT
   &CELL
   &END CELL
   &KINDS
   &END KINDS
   &MOLECULES OFF
   &END MOLECULES
   &SYMMETRY
   &END SYMMETRY
  &END PRINT
 &END SUBSYS
&END FORCE_EVAL