----------------------------------------------------------------------------
   
   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
   
   ----------------------------------------------------------------------------
   
   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 'Cu(bcc)'
   * Warning: for a simple bravais lattice
   * Warning: ShuffleOn is reset to ShuffleOn = FALSE
   
   material information
   
   Bravais lattice vectors:
   a1 =    2.00000   0.00000   0.00000
   a2 =    0.00000   2.00000   0.00000
   a3 =    1.00000   1.00000   1.00000
   Basis atoms:
   Number of basis atoms =  1
   spec    mass        reference shift vector
     29    1.00       0.00000   0.00000   0.00000

 **reading constitutive information**
   
   KIM Model name: EAM_Dynamo_Mendelev_Kramer_CuZr__MO_600021860456_004
   
   Maximum cut-off distance:      7.6000000000

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

 **optimize lattice parameter**
   
   Input lattice vectors
        2.0000000000000000     0.0000000000000000     1.0000000000000000
        0.0000000000000000     2.0000000000000000     1.0000000000000000
        0.0000000000000000     0.0000000000000000     1.0000000000000000




*** WARNING: In mod_qclib/build_on_the_fly:
             Number of neighbors (   403) exceeds maxlats.
             Increasing maxlats to    800.





*** WARNING: In mod_poten_kim/Calc_Local:
             maxncry was increased in getlats,
             which means that RijList_LC(:,:,1)
             is now too small. There may be a
             considerable wait as I rebuild the
             local neighbor lists.

   
   Relaxed lattice vectors
      2.89474910067680557546   0.00000000000000545304   1.44737455033840101137
      0.00000000000000545304   2.89474910067680157866   1.44737455033840545227
     -0.00000000000000904857   0.00000000000000404090   1.44737455033839235163
   * CB-KIM calculation successfully completed