=======================================
          |     OUTPUT OF PROGRAM "STATICS"     |
          |     ---------------------------     |
          |    (Yuri Mishin, Feb.-March 1996)   |
          |        [revised in June 1998]       |
          =======================================
  For comments, suggestions and bugs contact mishin@vt.edu

 REMEMBER:  in this program the energy is measured in eV,
            distances in Angstroems, forces in eV/Angstroem,
            planar defect energy in eV/Angstroem^2

 CHEMICAL ELEMENTS:   TYPE   ELEMENT

                        1      Fe  
                        2      Fe  

 THE FOLLOWING POTENTIAL FILES ARE USED:

 pfe-1.dat                                                               
 palni.dat                                                               
 pni_m.dat                                                               
 ffe-1.dat                                                               
 for021.dat                                                              
 Ffe-1.dat                                                               
 frni.dat                                                                

 CUT-OFF RADIUS OF ATOMIC INTERACTION:    5.8037

 INITIAL CONFIGURATION IS GENERATED BY 'CRYSTAL' USING FILE:
 crystal.gen                                                             

 PRIMITIVE TRANSLATION VECTORS:
     3.51500     0.00000     0.00000
     0.00000     3.51500     0.00000
     0.00000     0.00000     3.51500

 NUMBER OF BASIS ATOMS =  4
       COORDINATES                         ELEMENT
        0.000000    0.000000    0.000000      Fe  
        1.757500    1.757500    0.000000      Fe  
        1.757500    0.000000    1.757500      Fe  
        0.000000    1.757500    1.757500      Fe  

 EDGE VECTORS OF THE SIMULATION BLOCK:
     1.00000     1.00000    -2.00000
     1.00000     1.00000     1.00000
     1.00000    -1.00000     0.00000

 NUMBER OF PLANES BEFORE LATTICE REPEATS IN BLOCK DIRECTIONS:
        6         3         2

     RADIUS OF SEARCH =  7.0000

     OUTER  BLOCK IS   16  BY  69  BY   8
     BUFFER THICKNESS   5  BY   4  BY   3
     INNER  BLOCK IS    6  BY  50  BY   2
     DIMENSIONS OF THE INNER BLOCK:   8.60996 101.46931   4.97096

     CYCLIC BOUNDARY IN X DIRECTION
     CYCLIC BOUNDARY IN Z DIRECTION

 THE PERFECT LATTICE BLOCK CONTAINS:
 TOTAL NUMBER OF  ATOMS:  NTOT  =    552
 NUMBER OF  FREE  ATOMS:  NFREE =    400
 NUMBER OF BUFFER ATOMS:              64
 NUMBER OF FIXED  ATOMS:              88

 ---------------------------------------------------

 COHESIVE ENERGY OF THE PERFECT LATTICE: -4.195965

  ELECTRON DENSITY IN THE PERFECT LATTICE:
       LCO   ELEMENT   EL. DENSITY
        1      Fe        1.036001
        2      Fe        1.036001
        3      Fe        1.036001
        4      Fe        1.036001

 --------------------------------------------------

 LATTICE DEFECTS ARE GENERATED USING FILE:
 crystal.def                                                             

 A PLANAR DEFECT (in X-Z plane) HAS BEEN CREATED
 BY RIGID-BODY DISPLACEMENT OF THE UPPPER GRAIN BY VECTOR: 
     0.00000    10.00000     0.00000

 THE LINK CELL MAP IS  1 by 20 by  1

 CONSTRUCTING TABLE OF NEIGHBOURS
 MAXIMUM NUMBER OF NEIGHBOURS IS 134

 INITIAL ENERGY OF THE DEFECTED BLOCK: -0.1934429D+04

 CRACK INFORMATION IS READ FROM FILE:
 crystal.crack                                                           

  N      K_I           ENERGY        CRACK TIP POSITION        NF
  1  0.0000D+00   0.1214505D+02 X =-0.1000D+11 Y = 0.0000D+00   0

 *** THE MINIMIZATION ALGORITHM SAFELY CONVERGED ***
                Congratulations !!! 

 TOTAL NUMBER OF INTERATONS MADE:  44
 TOTAL NUMBER OF FUNCTION CALLS:   90

 MAXIMUM ATOMIC DISPLACEMENT DUE TO RELAXATION: 0.31403
 MAXIMUM FORCE AFTER RELAXATION: 0.000657

 ----------------------------------------------------
 MINIMUM ENERGY OF THE BLOCK: -0.1934783D+04
 SPECIFIC ENERGY OF THE PLANAR DEFECT:  0.2837644D+00
 ----------------------------------------------------


 THE FINAL CONFIGURATION HAS BEEN SAVED IN FILE:
                  fevac.xyz                                                               

                                        ... END OF OUTPUT.