  ===============================================
  Elastic constants from Materials Studio: CASTEP
  ===============================================
 
         Summary of the calculated stresses
         **********************************
 
  Strain pattern:      1
  ======================
 
  Current amplitude: 1
  Transformed stress tensor (GPa) :
        0.847818       -0.000000       -0.000000
       -0.000000        0.301337        0.399468
       -0.000000        0.399468        0.301337
 
  Current amplitude: 2
  Transformed stress tensor (GPa) :
        0.402945        0.000000       -0.000000
        0.000000        0.132787        0.200743
       -0.000000        0.200743        0.132787
 
  Current amplitude: 3
  Transformed stress tensor (GPa) :
        0.020932       -0.000000        0.000000
       -0.000000        0.020932        0.000000
        0.000000        0.000000        0.020932
 
  Current amplitude: 4
  Transformed stress tensor (GPa) :
       -0.383725        0.000000       -0.000000
        0.000000       -0.117755       -0.202595
       -0.000000       -0.202595       -0.117755
 
  Current amplitude: 5
  Transformed stress tensor (GPa) :
       -0.804395       -0.000000       -0.000000
       -0.000000       -0.275204       -0.400833
       -0.000000       -0.400833       -0.275204
 
 
 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         0.847818         -0.003000
       1        1         0.402945         -0.001500
       1        1         0.020932          0.000000
       1        1        -0.383725          0.001500
       1        1        -0.804395          0.003000
C (gradient)     :     272.739733
Error on C       :       3.422735
Correlation coeff:       0.999764
Stress intercept :       0.016715
 
       2        7         0.301337         -0.003000
       2        7         0.132787         -0.001500
       2        7         0.020932          0.000000
       2        7        -0.117755          0.001500
       2        7        -0.275204          0.003000
C (gradient)     :      93.574933
Error on C       :       3.198991
Correlation coeff:       0.998252
Stress intercept :       0.012419
 
       3        7         0.301337         -0.003000
       3        7         0.132787         -0.001500
       3        7         0.020932          0.000000
       3        7        -0.117755          0.001500
       3        7        -0.275204          0.003000
C (gradient)     :      93.574933
Error on C       :       3.198991
Correlation coeff:       0.998252
Stress intercept :       0.012419
 
       4        4         0.399468         -0.003000
       4        4         0.200743         -0.001500
       4        4         0.000000          0.000000
       4        4        -0.202595          0.001500
       4        4        -0.400833          0.003000
C (gradient)     :     133.596000
Error on C       :       0.262207
Correlation coeff:       0.999994
Stress intercept :      -0.000643
 
 
  ============================
  Summary of elastic constants
  ============================
 
 id  i  j       Cij (GPa)
 1   1  1     272.73973 +/-   3.423
 4   4  4     133.59600 +/-   0.262
 7   1  2      93.57493 +/-   2.262
 
      =====================================
      Elastic Stiffness Constants Cij (GPa)
      =====================================
 
   272.73973    93.57493    93.57493     0.00000     0.00000     0.00000
    93.57493   272.73973    93.57493     0.00000     0.00000     0.00000
    93.57493    93.57493   272.73973     0.00000     0.00000     0.00000
     0.00000     0.00000     0.00000   133.59600     0.00000     0.00000
     0.00000     0.00000     0.00000     0.00000   133.59600     0.00000
     0.00000     0.00000     0.00000     0.00000     0.00000   133.59600
 
      ========================================
      Elastic Compliance Constants Sij (1/GPa)
      ========================================
 
   0.0044458  -0.0011357  -0.0011357   0.0000000   0.0000000   0.0000000
  -0.0011357   0.0044458  -0.0011357   0.0000000   0.0000000   0.0000000
  -0.0011357  -0.0011357   0.0044458   0.0000000   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0074853   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0074853   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0074853
 
Bulk modulus    =   153.29653 +/-  1.891 (GPa)
 
Compressibility =     0.00652 (1/GPa)
 
  Axis   Young Modulus        Poisson Ratios
         (GPa)
   X      224.93238       Exy=  0.2554 Exz=  0.2554
   Y      224.93238       Eyx=  0.2554 Eyz=  0.2554
   Z      224.93238       Ezx=  0.2554 Ezy=  0.2554
 
      ====================================================
      Elastic constants for polycrystalline material (GPa)
      ====================================================
 
                                 Voigt       Reuss        Hill 
Bulk modulus              :     153.29653   153.29653   153.29653 
Shear modulus (Lame Mu)   :     115.99056   111.65306   113.82181 
Lame lambda               :      75.96949    78.86116    77.41533 
 
Universal anisotropy index:       0.19424 
