&FORCE_EVAL
  METHOD FIST
#  STRESS_TENSOR ANALYTICAL
  &MM
    &PRINT 
       &FF_INFO ON
       &END FF_INFO
    &END PRINT
    &FORCEFIELD
       &CHARGE   
          ATOM    Si 
          CHARGE  +4.0
       &END CHARGE
       &BOND
          ATOMS Si O
          K         0.00
          KIND      HARMONIC
          R0    1.0
          # Just a fake bond term
       &END BOND
       &BEND
          ATOMS O Si O 
          K         0.07707	
          KIND      HARMONIC
          THETA0    1.91061
        ## Si-O-Si	0.07707	1.91061	0.0-1.8/0.0-1.8/0.0-3.2
       &END BEND
       ############################## shells ################3
       &SHELL  O
          MAX_DISTANCE   0.1
          CORE_CHARGE    0.87 
          MASS_FRACTION  0.2
          SHELL_CHARGE  -2.87
          SPRING [eV*angstrom^-2]    74.92 
       &END SHELL
       &NONBONDED
          &WILLIAMS
              ATOMS  Si O
              A [eV]            1283.90700     
              B [angstrom^-1]      3.11993	
              C [eV*angstrom^6]  10.66158
              RCUT 12.0
          ##V(r) = A*EXP(-B*r) - C / r^6 . 
          ## Si-O	1283.90700	3.11993	10.66158
          &END WILLIAMS
          &WILLIAMS 
            ATOMS  O O
              A [eV]            22764.00000   
              B [angstrom^-1]       3.11993	
              C [eV*angstrom^6]    27.87900
            RCUT 12.0
          ##V(r) = A*EXP(-B*r) - C / r^6 . 
          ##Osi-Osi	22764.00000	3.11993	27.87900
          &END WILLIAMS
          &LENNARD-JONES
               ATOMS    Si Si
               EPSILON    0.0
               RCUT       1.0
               SIGMA       3.12619
          ## Lennard-Jones	e	rho(A)	
          ## Ow-Ow	131.00029	3.12619	0.0-12.0
          &END LENNARD-JONES
       &END NONBONDED
       &SPLINE
          EMAX_SPLINE 1000.0 
       &END  SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .35
        GMAX 20   
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
   &CELL
     ABC 10 10 10  
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../sample_xyz/sio2.xyz 
      COORDINATE XYZ 
      CONNECTIVITY PSF
      CONN_FILE_NAME  ../sample_psf/sio2.psf 
      EXCLUDE_VDW 1-1
      EXCLUDE_EI  1-2
    &END TOPOLOGY
    &PRINT
       &TOPOLOGY_INFO
          UTIL_INFO
       &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 11_exvdw_12_exei
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVT 
    STEPS 1000 
    TIMESTEP  0.1 
    TEMPERATURE 300.0 
    &SHELL
      TEMPERATURE 25.0
      TEMP_TOL    25.0
    &END
    &THERMOSTAT
      REGION MOLECULE
    TYPE NOSE
    	&NOSE
        LENGTH 3
      	YOSHIDA 3
      	TIMECON 5 
      	MTS 2
    	&END NOSE
   &END THERMOSTAT
   &BAROSTAT
      PRESSURE 1.0    
      TIMECON 1000  
   &END BAROSTAT 
    &PRINT
      &PROGRAM_RUN_INFO
          &EACH
            MD 5
	  &END EACH
      &END PROGRAM_RUN_INFO
     &ENERGY
          &EACH
            MD 5
	  &END EACH
      &END ENERGY
     &END PRINT
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH  
       MD  1
       GEO_OPT 1
     &END EACH 
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
    &CELL
     &EACH
       MD 10
     &END EACH
    &END CELL
    &RESTART_HISTORY
     &EACH
       MD 1000
     &END EACH
     &END RESTART_HISTORY
     &RESTART
     &EACH
       MD 1000
     &END EACH
     &END RESTART
     &SHELL_TRAJECTORY
      &EACH
        MD 1
      &END
    &END
    &SHELL_VELOCITIES OFF
    &END
    &END PRINT
&END MOTION
