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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**
* Error: at line 169 in mod_poten_kim.F90
	Message: kim_api_string_init
	KIM_STATUS_MSG: unsuccessful completion
   
   KIM Model name: Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002
   
   Match failed; removing process_d2Edr2 and trying again.
   
   Moduli calculation disabled.
   
   Preconditioning disabled in lattice parameter optimization.
   
   Maximum cut-off distance:      2.9600000000

 **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       = OFF

 **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
      0.07706704304862327382   1.64131602274569887712   1.63797297584726919695
      1.56552492765166118005   0.00170132329330754950   1.63754760050854741849
      1.55933198197854094857   1.63469770173385686718   0.00504437019173709696
   Relaxed basis atom positions
      0.00000000000000000000   0.00000000000000000000   0.00000000000000000000
      0.59119327428678758451   1.04297776513733331250   1.05137101446015290840
   * CB-KIM calculation successfully completed