=======================================
          |     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      Al  
                        2      Ni  

 THE FOLLOWING POTENTIAL FILES ARE USED:

 pal_m.dat                                                               
 palni.dat                                                               
 pni_m.dat                                                               
 for022.dat                                                              
 for021.dat                                                              
 fral.dat                                                                
 frni.dat                                                                

 CUT-OFF RADIUS OF ATOMIC INTERACTION:    5.5800

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

 PRIMITIVE TRANSLATION VECTORS:
     2.87500     0.00000     0.00000
     0.00000     2.87500     0.00000
     0.00000     0.00000     2.87500

 NUMBER OF BASIS ATOMS =  2
       COORDINATES                         ELEMENT
        0.000000    0.000000    0.000000      Al  
        1.437600    1.437600    1.437600      Ni  

 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   16  BY  16  BY   7
     BUFFER THICKNESS   3  BY   3  BY   3
     INNER  BLOCK IS    3  BY   3  BY   1
     DIMENSIONS OF THE INNER BLOCK:   8.62500   8.62500   2.87500

     CYCLIC BOUNDARY IN Z DIRECTION

 THE PERFECT LATTICE BLOCK CONTAINS:
 TOTAL NUMBER OF  ATOMS:  NTOT  =    512
 NUMBER OF  FREE  ATOMS:  NFREE =     18
 NUMBER OF BUFFER ATOMS:             144
 NUMBER OF FIXED  ATOMS:             350

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

 COHESIVE ENERGY OF THE PERFECT LATTICE: -4.493848

  ELECTRON DENSITY IN THE PERFECT LATTICE:
       LCO   ELEMENT   EL. DENSITY
        1      Al        0.426142
        2      Ni        0.462127

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

 LATTICE DEFECTS ARE GENERATED USING FILE:
 nialcrack.def                                                           

 THE LINK CELL MAP IS  6 by  6 by  1

 CONSTRUCTING TABLE OF NEIGHBOURS
 MAXIMUM NUMBER OF NEIGHBOURS IS 112


 CRACK INFORMATION IS READ FROM FILE:
 nialcrack.crack                                                         

  N      K_I           ENERGY        CRACK TIP POSITION        NF
  1  0.5000D+00   0.1289926D+02 X =-0.1272D+01 Y = 0.2143D+01   0
  2  0.6000D+00   0.1447632D+02 X =-0.1131D+01 Y = 0.2289D+01   0
  3  0.7000D+00   0.1605337D+02 X = 0.3009D+00 Y = 0.1070D+00   0
  4  0.8000D+00   0.1766600D+02 X = 0.5175D+00 Y =-0.1071D+00   0
  5  0.9000D+00   0.1927248D+02 X =-0.9490D+00 Y = 0.2995D+01   0

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

 TOTAL NUMBER OF INTERATONS MADE: 160
 TOTAL NUMBER OF FUNCTION CALLS:  329

 MAXIMUM ATOMIC DISPLACEMENT DUE TO RELAXATION: 0.60502
 MAXIMUM FORCE AFTER RELAXATION: 0.000102

 ----------------------------------------------------
 MINIMUM ENERGY OF THE BLOCK: -0.7087310D+03

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

                                        ... END OF OUTPUT.