=======================================
          |     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     0.00000     0.00000
     0.00000     1.00000     0.00000
     0.00000     0.00000     1.00000

 NUMBER OF PLANES BEFORE LATTICE REPEATS IN BLOCK DIRECTIONS:
        1         1         1

     RADIUS OF SEARCH =  7.0000

     OUTER  BLOCK IS   13  BY  13  BY  13
     BUFFER THICKNESS   2  BY   2  BY   2
     INNER  BLOCK IS    4  BY   4  BY   4
     DIMENSIONS OF THE INNER BLOCK:  14.06000  14.06000  14.06000


 THE PERFECT LATTICE BLOCK CONTAINS:
 TOTAL NUMBER OF  ATOMS:  NTOT  =   8788
 NUMBER OF  FREE  ATOMS:  NFREE =    256
 NUMBER OF BUFFER ATOMS:            1792
 NUMBER OF FIXED  ATOMS:            6740

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

 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                                                             

 THE BLOCK CONTAINS A VACANCY
 AT SITE   54

  ======= COMPOSITION OF THE DEFECTED BLOCK: =======

   THE BLOCK CONTAINS   255  ATOMS AND   1  VACANCIES
   255  ATOMS ARE  Fe  
     0  ATOMS ARE  Fe  
  ===================================================

 THE LINK CELL MAP IS  6 by  6 by  6

 CONSTRUCTING TABLE OF NEIGHBOURS
 MAXIMUM NUMBER OF NEIGHBOURS IS 134

 INITIAL ENERGY OF THE DEFECTED BLOCK: -0.8587356D+04

 CRACK INFORMATION IS READ FROM FILE:
 crystal.crack                                                           

  N      K_I           ENERGY        CRACK TIP POSITION        NF
  1  0.0000D+00   0.5861257D+01 X =-0.1000D+11 Y = 0.0000D+00   0

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

 TOTAL NUMBER OF INTERATONS MADE:  14
 TOTAL NUMBER OF FUNCTION CALLS:   29

 MAXIMUM ATOMIC DISPLACEMENT DUE TO RELAXATION: 0.04128
 MAXIMUM FORCE AFTER RELAXATION: 0.000158

 ----------------------------------------------------
 MINIMUM ENERGY OF THE BLOCK: -0.8587475D+04
 DEFECT ENERGY:  0.5861257D+01
 ----------------------------------------------------


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

                                        ... END OF OUTPUT.