  ===============================================
  Elastic constants from Materials Studio: CASTEP
  ===============================================
 
         Summary of the calculated stresses
         **********************************
 
  Strain pattern:      1
  ======================
 
  Current amplitude: 1
  Transformed stress tensor (GPa) :
        0.812386        0.000000       -0.000000
        0.000000        0.264947        0.399233
       -0.000000        0.399233        0.264947
 
  Current amplitude: 2
  Transformed stress tensor (GPa) :
        0.300280        0.000000       -0.000000
        0.000000        0.112066        0.134043
       -0.000000        0.134043        0.112066
 
  Current amplitude: 3
  Transformed stress tensor (GPa) :
       -0.267307       -0.000000       -0.000000
       -0.000000       -0.090369       -0.134594
       -0.000000       -0.134594       -0.090369
 
  Current amplitude: 4
  Transformed stress tensor (GPa) :
       -0.786159       -0.000000       -0.000000
       -0.000000       -0.257445       -0.400945
       -0.000000       -0.400945       -0.257445
 
 
 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         0.812386         -0.003000
       1        1         0.300280         -0.001000
       1        1        -0.267307          0.001000
       1        1        -0.786159          0.003000
C (gradient)     :     268.161100
Error on C       :       3.722989
Correlation coeff:       0.999807
Stress intercept :       0.014800
 
       2        7         0.264947         -0.003000
       2        7         0.112066         -0.001000
       2        7        -0.090369          0.001000
       2        7        -0.257445          0.003000
C (gradient)     :      88.480550
Error on C       :       3.205017
Correlation coeff:       0.998690
Stress intercept :       0.007300
 
       3        7         0.264947         -0.003000
       3        7         0.112066         -0.001000
       3        7        -0.090369          0.001000
       3        7        -0.257445          0.003000
C (gradient)     :      88.480550
Error on C       :       3.205017
Correlation coeff:       0.998690
Stress intercept :       0.007300
 
       4        4         0.399233         -0.003000
       4        4         0.134043         -0.001000
       4        4        -0.134594          0.001000
       4        4        -0.400945          0.003000
C (gradient)     :     133.458550
Error on C       :       0.222505
Correlation coeff:       0.999997
Stress intercept :      -0.000566
 
 
  ============================
  Summary of elastic constants
  ============================
 
 id  i  j       Cij (GPa)
 1   1  1     268.16110 +/-   3.723
 4   4  4     133.45855 +/-   0.223
 7   1  2      88.48055 +/-   2.266
 
      =====================================
      Elastic Stiffness Constants Cij (GPa)
      =====================================
 
   268.16110    88.48055    88.48055     0.00000     0.00000     0.00000
    88.48055   268.16110    88.48055     0.00000     0.00000     0.00000
    88.48055    88.48055   268.16110     0.00000     0.00000     0.00000
     0.00000     0.00000     0.00000   133.45855     0.00000     0.00000
     0.00000     0.00000     0.00000     0.00000   133.45855     0.00000
     0.00000     0.00000     0.00000     0.00000     0.00000   133.45855
 
      ========================================
      Elastic Compliance Constants Sij (1/GPa)
      ========================================
 
   0.0044591  -0.0011063  -0.0011063   0.0000000   0.0000000   0.0000000
  -0.0011063   0.0044591  -0.0011063   0.0000000   0.0000000   0.0000000
  -0.0011063  -0.0011063   0.0044591   0.0000000   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0074930   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0074930   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0074930
 
Bulk modulus    =   148.37407 +/-  1.955 (GPa)
 
Compressibility =     0.00674 (1/GPa)
 
  Axis   Young Modulus        Poisson Ratios
         (GPa)
   X      224.25816       Exy=  0.2481 Exz=  0.2481
   Y      224.25816       Eyx=  0.2481 Eyz=  0.2481
   Z      224.25816       Ezx=  0.2481 Ezy=  0.2481
 
      ====================================================
      Elastic constants for polycrystalline material (GPa)
      ====================================================
 
                                 Voigt       Reuss        Hill 
Bulk modulus              :     148.37407   148.37407   148.37407 
Shear modulus (Lame Mu)   :     116.01124   111.75527   113.88325 
Lame lambda               :      71.03324    73.87055    72.45190 
 
Universal anisotropy index:       0.19041 
