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   c a u c h y - b o r n   c o n s t i t u t i v e   m o d e l
   
   This program computes the finite deformation constitutive response
   of an arbitrary multilattice single crystal.  The code is based on
   the local quasicontinuum (QC) method (http://qcmethod.org).
   
   The program uses interatomic potentials compatible with the
   Knowledgebase of Interatomic Models (KIM) project (https://openkim.org).
   
   Copyright (C) 2015 E. B. Tadmor
   
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   Test calculation: Lattice invariance shear of cubic crystal

 **setting factor**
   * Default globaltol set to  0.10000E-15
   CG global tolerance = 0.10000E-15

 **reading material data**
   
   Material name 'Si(diamond)'
   
   material information
   
   Bravais lattice vectors:
   a1 =    0.00000   1.50000   1.50000
   a2 =    1.50000   0.00000   1.50000
   a3 =    1.50000   1.50000   0.00000
   Basis atoms:
   Number of basis atoms =  2
   spec    mass        reference shift vector
     14    1.00       0.00000   0.00000   0.00000
     14    1.00       0.75000   0.75000   0.75000

 **reading constitutive information**
   
   KIM Model name: Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_003
   
   Maximum cut-off distance:      3.7711800000

 **global parameter settings**
   
   
   Number of spatial dimensions =       3
   Number of dofs per node      =       3
   Number of nodes per element  =       4
   Shuffles optimization                    = ACTIVATED
   Prefer multilattice stress correction    = OFF
   Optimize F and shuffles concurrently     = ACTIVATED
   Use preconditioned CG optimization       = ACTIVATED

 **optimize lattice parameter**
   
   Input lattice vectors
        0.0000000000000000     1.5000000000000000     1.5000000000000000
        1.5000000000000000     0.0000000000000000     1.5000000000000000
        1.5000000000000000     1.5000000000000000     0.0000000000000000
   Input basis atom positions
        0.0000000000000000     0.0000000000000000     0.0000000000000000
        0.7500000000000000     0.7500000000000000     0.7500000000000000
   
   Relaxed lattice vectors
     -0.00000000000000018735   2.71547488920261637091   2.71547488920261770318
      2.71547488920261681500  -0.00000000000000008197   2.71547488920261814727
      2.71547488920261592682   2.71547488920261592682  -0.00000000000000145847
   Relaxed basis atom positions
      0.00000000000000000000   0.00000000000000000000   0.00000000000000000000
      1.35773744460130885159   1.35773744460130862954   1.35773744460130774137
   * CB-KIM calculation successfully completed