  ===============================================
  Elastic constants from Materials Studio: CASTEP
  ===============================================
 
         Summary of the calculated stresses
         **********************************
 
  Strain pattern:      1
  ======================
 
  Current amplitude: 1
  Transformed stress tensor (GPa) :
        0.830274       -0.000000       -0.000000
       -0.000000        0.283277        0.399573
       -0.000000        0.399573        0.283277
 
  Current amplitude: 2
  Transformed stress tensor (GPa) :
        0.501428        0.000000       -0.000000
        0.000000        0.177592        0.240497
       -0.000000        0.240497        0.177592
 
  Current amplitude: 3
  Transformed stress tensor (GPa) :
        0.176948       -0.000000       -0.000000
       -0.000000        0.065982        0.081942
       -0.000000        0.081942        0.065982
 
  Current amplitude: 4
  Transformed stress tensor (GPa) :
       -0.150480       -0.000000       -0.000000
       -0.000000       -0.042315       -0.080468
       -0.000000       -0.080468       -0.042315
 
  Current amplitude: 5
  Transformed stress tensor (GPa) :
       -0.472388       -0.000000        0.000000
       -0.000000       -0.150311       -0.241150
        0.000000       -0.241150       -0.150311
 
  Current amplitude: 6
  Transformed stress tensor (GPa) :
       -0.786717       -0.000000        0.000000
       -0.000000       -0.258242       -0.400782
        0.000000       -0.400782       -0.258242
 
 
 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         0.830274         -0.003000
       1        1         0.501428         -0.001800
       1        1         0.176948         -0.000600
       1        1        -0.150480          0.000600
       1        1        -0.472388          0.001800
       1        1        -0.786717          0.003000
C (gradient)     :     269.853119
Error on C       :       0.977965
Correlation coeff:       0.999974
Stress intercept :       0.016511
 
       2        7         0.283277         -0.003000
       2        7         0.177592         -0.001800
       2        7         0.065982         -0.000600
       2        7        -0.042315          0.000600
       2        7        -0.150311          0.001800
       2        7        -0.258242          0.003000
C (gradient)     :      90.466690
Error on C       :       0.256955
Correlation coeff:       0.999984
Stress intercept :       0.012664
 
       3        7         0.283277         -0.003000
       3        7         0.177592         -0.001800
       3        7         0.065982         -0.000600
       3        7        -0.042315          0.000600
       3        7        -0.150311          0.001800
       3        7        -0.258242          0.003000
C (gradient)     :      90.466690
Error on C       :       0.256955
Correlation coeff:       0.999984
Stress intercept :       0.012664
 
       4        4         0.399573         -0.003000
       4        4         0.240497         -0.001800
       4        4         0.081942         -0.000600
       4        4        -0.080468          0.000600
       4        4        -0.241150          0.001800
       4        4        -0.400782          0.003000
C (gradient)     :     133.550619
Error on C       :       0.225790
Correlation coeff:       0.999994
Stress intercept :      -0.000065
 
 
  ============================
  Summary of elastic constants
  ============================
 
 id  i  j       Cij (GPa)
 1   1  1     269.85312 +/-   0.978
 4   4  4     133.55062 +/-   0.226
 7   1  2      90.46669 +/-   0.182
 
      =====================================
      Elastic Stiffness Constants Cij (GPa)
      =====================================
 
   269.85312    90.46669    90.46669     0.00000     0.00000     0.00000
    90.46669   269.85312    90.46669     0.00000     0.00000     0.00000
    90.46669    90.46669   269.85312     0.00000     0.00000     0.00000
     0.00000     0.00000     0.00000   133.55062     0.00000     0.00000
     0.00000     0.00000     0.00000     0.00000   133.55062     0.00000
     0.00000     0.00000     0.00000     0.00000     0.00000   133.55062
 
      ========================================
      Elastic Compliance Constants Sij (1/GPa)
      ========================================
 
   0.0044558  -0.0011187  -0.0011187   0.0000000   0.0000000   0.0000000
  -0.0011187   0.0044558  -0.0011187   0.0000000   0.0000000   0.0000000
  -0.0011187  -0.0011187   0.0044558   0.0000000   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0074878   0.0000000   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0074878   0.0000000
   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0074878
 
Bulk modulus              =   150.26217 +/-  0.348 (GPa)
 
Compressibility           =     0.00666 (1/GPa)

Elastic Debye temperature =   883.84101 K
Averaged sound velocity   =  6360.48934 (m/s)
 
  Axis   Young Modulus        Poisson Ratios
         (GPa)
   X      224.42557       Exy=  0.2511 Exz=  0.2511
   Y      224.42557       Eyx=  0.2511 Eyz=  0.2511
   Z      224.42557       Ezx=  0.2511 Ezy=  0.2511
 
      ====================================================
      Elastic constants for polycrystalline material (GPa)
      ====================================================
 
                                      Voigt       Reuss        Hill 
Bulk modulus                   :     150.26217   150.26217   150.26217 
Shear modulus (Lame Mu)        :     116.00766   111.70283   113.85524 
Lame lambda                    :      72.92373    75.79361    74.35867 
Young modulus                  :     276.79195   268.56044   272.69188 
Poisson ratio                  :       0.19299     0.20212     0.19754 
Hardness (Tian 2012)           :      19.84667    18.50922    19.17261 
Fracture toughness  (MPa m^0.5):       1.93257     1.89637     1.91456 
 
Universal anisotropy index:       0.19269 
