  ===============================================
  Elastic constants from Materials Studio: CASTEP
  ===============================================
 
         Summary of the calculated stresses
         **********************************
 
  Strain pattern:      1
  ======================
 
  Current amplitude: 1
  Transformed stress tensor (GPa) :
        1.764984       -0.000000       -0.000000
       -0.000000        1.308027        0.578251
       -0.000000        0.578251        1.308027
 
  Current amplitude: 2
  Transformed stress tensor (GPa) :
        1.220364       -0.000000       -0.000000
       -0.000000        1.109274        0.317140
       -0.000000        0.317140        1.109274
 
  Current amplitude: 3
  Transformed stress tensor (GPa) :
        0.670847       -0.000000       -0.000000
       -0.000000        0.909439        0.048974
       -0.000000        0.048974        0.909439
 
  Current amplitude: 4
  Transformed stress tensor (GPa) :
        0.195324       -0.000000       -0.000000
       -0.000000        0.773674       -0.218945
       -0.000000       -0.218945        0.773674
 
 
 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         1.764984         -0.003000
       1        1         1.220364         -0.001000
       1        1         0.670847          0.001000
       1        1         0.195324          0.003000
C (gradient)     :     262.924850
Error on C       :       6.133491
Correlation coeff:       0.999456
Stress intercept :       0.962880
 
       2        7         1.308027         -0.003000
       2        7         1.109274         -0.001000
       2        7         0.909439          0.001000
       2        7         0.773674          0.003000
C (gradient)     :      90.144700
Error on C       :       5.486600
Correlation coeff:       0.996316
Stress intercept :       1.025103
 
       3        7         1.308027         -0.003000
       3        7         1.109274         -0.001000
       3        7         0.909439          0.001000
       3        7         0.773674          0.003000
C (gradient)     :      90.144700
Error on C       :       5.486600
Correlation coeff:       0.996316
Stress intercept :       1.025103
 
       4        4         0.578251         -0.003000
       4        4         0.317140         -0.001000
       4        4         0.048974          0.001000
       4        4        -0.218945          0.003000
C (gradient)     :     132.987700
Error on C       :       0.596933
Correlation coeff:       0.999980
Stress intercept :       0.181355
 
 
  ============================
  Summary of elastic constants
  ============================
 
 id  i  j       Cij (GPa)
 1   1  1     262.92485 +/-   6.133
 4   4  4     132.98770 +/-   0.597
 7   1  2      90.14470 +/-   3.880
 
      =====================================
      Elastic Stiffness Constants Cij (GPa)
      =====================================
 
   262.92485    90.14470    90.14470     0.00000     0.00000     0.00000
    90.14470   262.92485    90.14470     0.00000     0.00000     0.00000
    90.14470    90.14470   262.92485     0.00000     0.00000     0.00000
     0.00000     0.00000     0.00000   132.98770     0.00000     0.00000
     0.00000     0.00000     0.00000     0.00000   132.98770     0.00000
     0.00000     0.00000     0.00000     0.00000     0.00000   132.98770
 
      ========================================
      Elastic Compliance Constants Sij (1/GPa)
      ========================================
 
   0.0046105  -0.0011772  -0.0011772   0.0000000   0.0000000   0.0000000
  -0.0011772   0.0046105  -0.0011772   0.0000000   0.0000000   0.0000000
  -0.0011772  -0.0011772   0.0046105   0.0000000   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0075195   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0075195   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0075195
 
Bulk modulus    =   147.73808 +/-  3.297 (GPa)
 
Compressibility =     0.00677 (1/GPa)
 
  Axis   Young Modulus        Poisson Ratios
         (GPa)
   X      216.89388       Exy=  0.2553 Exz=  0.2553
   Y      216.89388       Eyx=  0.2553 Eyz=  0.2553
   Z      216.89388       Ezx=  0.2553 Ezy=  0.2553
 
      ====================================================
      Elastic constants for polycrystalline material (GPa)
      ====================================================
 
                                 Voigt       Reuss        Hill 
Bulk modulus              :     147.73808   147.73808   147.73808 
Shear modulus (Lame Mu)   :     114.34865   109.38697   111.86781 
Lame lambda               :      71.50565    74.81344    73.15954 
 
Universal anisotropy index:       0.22680 
