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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_Tersoff_PRB37_1988_Si__MO_245095684871_001
   
   Match failed; removing process_d2Edr2 and trying again.
   
   Moduli calculation disabled.
   
   Preconditioning disabled in lattice parameter optimization.
   
   Maximum cut-off distance:      3.2000000000

 **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
      0.03484551401584557589   1.86283499186103940204   1.86206621440408470747
      1.82762926708697204248  -0.00050535308761352283   1.86221135673359716733
      1.82620683060966237932   1.86155769771296064619   0.00026342436934222320
   Relaxed basis atom positions
      0.00000000000000000000   0.00000000000000000000   0.00000000000000000000
      0.82788203240937674465   1.03956036043946586922   1.04308794592302489512
   * CB-KIM calculation successfully completed