  ===============================================
  Elastic constants from Materials Studio: CASTEP
  ===============================================
 
         Summary of the calculated stresses
         **********************************
 
  Strain pattern:      1
  ======================
 
  Current amplitude: 1
  Transformed stress tensor (GPa) :
        1.746612       -0.000000       -0.000000
       -0.000000        1.288498        0.578236
       -0.000000        0.578236        1.288498
 
  Current amplitude: 2
  Transformed stress tensor (GPa) :
        1.414259       -0.000000       -0.000000
       -0.000000        1.169558        0.422177
       -0.000000        0.422177        1.169558
 
  Current amplitude: 3
  Transformed stress tensor (GPa) :
        1.121965       -0.000000       -0.000000
       -0.000000        1.084204        0.266574
       -0.000000        0.266574        1.084204
 
  Current amplitude: 4
  Transformed stress tensor (GPa) :
        0.791465       -0.000000       -0.000000
       -0.000000        0.967690        0.102707
       -0.000000        0.102707        0.967690
 
  Current amplitude: 5
  Transformed stress tensor (GPa) :
        0.476364       -0.000000       -0.000000
       -0.000000        0.857094       -0.059022
       -0.000000       -0.059022        0.857094
 
  Current amplitude: 6
  Transformed stress tensor (GPa) :
        0.191855       -0.000000       -0.000000
       -0.000000        0.770670       -0.219027
       -0.000000       -0.219027        0.770670
 
 
 Stress corresponds to elastic coefficients (compact notation):
   1  7  7  4  0  0  
 
 as induced by the strain components:
   1  1  1  4  0  0  
 
     Stress    Cij       value of          value of
     index    index       stress            strain
       1        1         1.746612         -0.003000
       1        1         1.414259         -0.001800
       1        1         1.121965         -0.000600
       1        1         0.791465          0.000600
       1        1         0.476364          0.001800
       1        1         0.191855          0.003000
C (gradient)     :     259.951667
Error on C       :       2.744552
Correlation coeff:       0.999777
Stress intercept :       0.957087
 
       2        7         1.288498         -0.003000
       2        7         1.169558         -0.001800
       2        7         1.084204         -0.000600
       2        7         0.967690          0.000600
       2        7         0.857094          0.001800
       2        7         0.770670          0.003000
C (gradient)     :      86.739190
Error on C       :       1.920701
Correlation coeff:       0.999021
Stress intercept :       1.022952
 
       3        7         1.288498         -0.003000
       3        7         1.169558         -0.001800
       3        7         1.084204         -0.000600
       3        7         0.967690          0.000600
       3        7         0.857094          0.001800
       3        7         0.770670          0.003000
C (gradient)     :      86.739190
Error on C       :       1.920701
Correlation coeff:       0.999021
Stress intercept :       1.022952
 
       4        4         0.578236         -0.003000
       4        4         0.422177         -0.001800
       4        4         0.266574         -0.000600
       4        4         0.102707          0.000600
       4        4        -0.059022          0.001800
       4        4        -0.219027          0.003000
C (gradient)     :     133.185214
Error on C       :       0.607049
Correlation coeff:       0.999958
Stress intercept :       0.181941
 
 
  ============================
  Summary of elastic constants
  ============================
 
 id  i  j       Cij (GPa)
 1   1  1     259.95167 +/-   2.745
 4   4  4     133.18521 +/-   0.607
 7   1  2      86.73919 +/-   1.358
 
      =====================================
      Elastic Stiffness Constants Cij (GPa)
      =====================================
 
   259.95167    86.73919    86.73919     0.00000     0.00000     0.00000
    86.73919   259.95167    86.73919     0.00000     0.00000     0.00000
    86.73919    86.73919   259.95167     0.00000     0.00000     0.00000
     0.00000     0.00000     0.00000   133.18521     0.00000     0.00000
     0.00000     0.00000     0.00000     0.00000   133.18521     0.00000
     0.00000     0.00000     0.00000     0.00000     0.00000   133.18521
 
      ========================================
      Elastic Compliance Constants Sij (1/GPa)
      ========================================
 
   0.0046179  -0.0011554  -0.0011554   0.0000000   0.0000000   0.0000000
  -0.0011554   0.0046179  -0.0011554   0.0000000   0.0000000   0.0000000
  -0.0011554  -0.0011554   0.0046179   0.0000000   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0075083   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0075083   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0075083
 
Bulk modulus    =   144.47668 +/-  1.287 (GPa)
 
Compressibility =     0.00692 (1/GPa)
 
  Axis   Young Modulus        Poisson Ratios
         (GPa)
   X      216.54881       Exy=  0.2502 Exz=  0.2502
   Y      216.54881       Eyx=  0.2502 Eyz=  0.2502
   Z      216.54881       Ezx=  0.2502 Ezy=  0.2502
 
      ====================================================
      Elastic constants for polycrystalline material (GPa)
      ====================================================
 
                                 Voigt       Reuss        Hill 
Bulk modulus              :     144.47668   144.47668   144.47668 
Shear modulus (Lame Mu)   :     114.55362   109.60574   112.07968 
Lame lambda               :      68.10760    71.40619    69.75689 
 
Universal anisotropy index:       0.22571 
