---------------------------------------------------------------------------- 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 '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 * Error: at line 208 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion KIM Model name: Tersoff_LAMMPS_Tersoff_PRB38_1988_Si__MO_186459956893_000 Match failed; removing process_d2Edr2 and trying again. Moduli calculation disabled. Preconditioning disabled in lattice parameter optimization. Match failed; removing process_dEdr and trying again. Maximum cut-off distance: 3.0000000000 **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 0.00000000000000076324 2.71598947802438317467 2.71598947802438450694 2.71598947802438539512 0.00000000000000257942 2.71598947802438495103 2.71598947802438495103 2.71598947802438317467 0.00000000000000117271 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 1.35799473901217759852 1.35799473901222067518 1.35799473901219891481 **deform crystal** Method: relax shifts Mode: multiple steps, nsteps = 100 Deformation gradient 0.50000000 -0.50000000 -0.50000000 0.50000000 1.50000000 0.50000000 0.00000000 0.00000000 1.00000000 *** step number: 0 *** Deformation gradient in current step 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -0.2310845941 Kirchhoff stress 0.36688E-11 0.31496E-14 0.10518E-13 0.31496E-14 0.36688E-11 -0.46562E-14 0.10518E-13 -0.46562E-14 0.36688E-11 *** step number: 1 *** Deformation gradient in current step 0.99500000 -0.00500000 -0.00500000 0.00500000 1.00500000 0.00500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.00460715 0.00455779 -0.00009036 energy density (per reference volume) = -0.2310633522 Kirchhoff stress -0.20592E-02 -0.99316E-05 -0.21290E-02 -0.99316E-05 0.21301E-02 0.21768E-02 -0.21290E-02 0.21768E-02 -0.57298E-05 *** step number: 2 *** Deformation gradient in current step 0.99000000 -0.01000000 -0.01000000 0.01000000 1.01000000 0.01000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.00927199 0.00907400 -0.00036143 energy density (per reference volume) = -0.2309996757 Kirchhoff stress -0.40424E-02 -0.39722E-04 -0.42055E-02 -0.39722E-04 0.43261E-02 0.43965E-02 -0.42055E-02 0.43965E-02 -0.22750E-04 *** step number: 3 *** Deformation gradient in current step 0.98500000 -0.01500000 -0.01500000 0.01500000 1.01500000 0.01500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.01400334 0.01355575 -0.00081322 energy density (per reference volume) = -0.2308937119 Kirchhoff stress -0.59451E-02 -0.89359E-04 -0.62251E-02 -0.89359E-04 0.65829E-02 0.66538E-02 -0.62251E-02 0.66538E-02 -0.50557E-04 *** step number: 4 *** Deformation gradient in current step 0.98000000 -0.02000000 -0.02000000 0.02000000 1.02000000 0.02000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.01881041 0.01800947 -0.00144575 energy density (per reference volume) = -0.2307457039 Kirchhoff stress -0.77628E-02 -0.15882E-03 -0.81837E-02 -0.15882E-03 0.88954E-02 0.89433E-02 -0.81837E-02 0.89433E-02 -0.88335E-04 *** step number: 5 *** Deformation gradient in current step 0.97500000 -0.02500000 -0.02500000 0.02500000 1.02500000 0.02500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.02370261 0.02244088 -0.00225895 energy density (per reference volume) = -0.2305559871 Kirchhoff stress -0.94912E-02 -0.24807E-03 -0.10078E-01 -0.24807E-03 0.11259E-01 0.11260E-01 -0.10078E-01 0.11260E-01 -0.13498E-03 *** step number: 6 *** Deformation gradient in current step 0.97000000 -0.03000000 -0.03000000 0.03000000 1.03000000 0.03000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.02868948 0.02685492 -0.00325272 energy density (per reference volume) = -0.2303249846 Kirchhoff stress -0.11127E-01 -0.35705E-03 -0.11905E-01 -0.35705E-03 0.13668E-01 0.13598E-01 -0.11905E-01 0.13598E-01 -0.18914E-03 *** step number: 7 *** Deformation gradient in current step 0.96500000 -0.03500000 -0.03500000 0.03500000 1.03500000 0.03500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.03378057 0.03125590 -0.00442679 energy density (per reference volume) = -0.2300532013 Kirchhoff stress -0.12666E-01 -0.48568E-03 -0.13661E-01 -0.48568E-03 0.16119E-01 0.15952E-01 -0.13661E-01 0.15952E-01 -0.24926E-03 *** step number: 8 *** Deformation gradient in current step 0.96000000 -0.04000000 -0.04000000 0.04000000 1.04000000 0.04000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.03898531 0.03564744 -0.00578076 energy density (per reference volume) = -0.2297412174 Kirchhoff stress -0.14106E-01 -0.63388E-03 -0.15346E-01 -0.63388E-03 0.18606E-01 0.18317E-01 -0.15346E-01 0.18317E-01 -0.31362E-03 *** step number: 9 *** Deformation gradient in current step 0.95500000 -0.04500000 -0.04500000 0.04500000 1.04500000 0.04500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.04431256 0.04003245 -0.00731384 energy density (per reference volume) = -0.2293896812 Kirchhoff stress -0.15445E-01 -0.80146E-03 -0.16957E-01 -0.80146E-03 0.21127E-01 0.20687E-01 -0.16957E-01 0.20687E-01 -0.38042E-03 *** step number: 10 *** Deformation gradient in current step 0.95000000 -0.05000000 -0.05000000 0.05000000 1.05000000 0.05000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.04977115 0.04441356 -0.00902508 energy density (per reference volume) = -0.2289993015 Kirchhoff stress -0.16680E-01 -0.98829E-03 -0.18495E-01 -0.98829E-03 0.23676E-01 0.23059E-01 -0.18495E-01 0.23059E-01 -0.44778E-03 *** step number: 11 *** Deformation gradient in current step 0.94500000 -0.05500000 -0.05500000 0.05500000 1.05500000 0.05500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.05536916 0.04879285 -0.01091305 energy density (per reference volume) = -0.2285708399 Kirchhoff stress -0.17811E-01 -0.11941E-02 -0.19958E-01 -0.11941E-02 0.26252E-01 0.25426E-01 -0.19958E-01 0.25426E-01 -0.51382E-03 *** step number: 12 *** Deformation gradient in current step 0.94000000 -0.06000000 -0.06000000 0.06000000 1.06000000 0.06000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.06111389 0.05317212 -0.01297577 energy density (per reference volume) = -0.2281051028 Kirchhoff stress -0.18837E-01 -0.14187E-02 -0.21347E-01 -0.14187E-02 0.28850E-01 0.27785E-01 -0.21347E-01 0.27785E-01 -0.57672E-03 *** step number: 13 *** Deformation gradient in current step 0.93500000 -0.06500000 -0.06500000 0.06500000 1.06500000 0.06500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.06701204 0.05755301 -0.01521077 energy density (per reference volume) = -0.2276029340 Kirchhoff stress -0.19757E-01 -0.16617E-02 -0.22663E-01 -0.16617E-02 0.31468E-01 0.30131E-01 -0.22663E-01 0.30131E-01 -0.63469E-03 *** step number: 14 *** Deformation gradient in current step 0.93000000 -0.07000000 -0.07000000 0.07000000 1.07000000 0.07000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.07306906 0.06193710 -0.01761477 energy density (per reference volume) = -0.2270652074 Kirchhoff stress -0.20572E-01 -0.19227E-02 -0.23907E-01 -0.19227E-02 0.34102E-01 0.32459E-01 -0.23907E-01 0.32459E-01 -0.68612E-03 *** step number: 15 *** Deformation gradient in current step 0.92500000 -0.07500000 -0.07500000 0.07500000 1.07500000 0.07500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.07928952 0.06632612 -0.02018379 energy density (per reference volume) = -0.2264928201 Kirchhoff stress -0.21283E-01 -0.22014E-02 -0.25081E-01 -0.22014E-02 0.36752E-01 0.34767E-01 -0.25081E-01 0.34767E-01 -0.72948E-03 *** step number: 16 *** Deformation gradient in current step 0.92000000 -0.08000000 -0.08000000 0.08000000 1.08000000 0.08000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.08567662 0.07072187 -0.02291282 energy density (per reference volume) = -0.2258866864 Kirchhoff stress -0.21892E-01 -0.24971E-02 -0.26186E-01 -0.24971E-02 0.39413E-01 0.37048E-01 -0.26186E-01 0.37048E-01 -0.76344E-03 *** step number: 17 *** Deformation gradient in current step 0.91500000 -0.08500000 -0.08500000 0.08500000 1.08500000 0.08500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.09223224 0.07512669 -0.02579583 energy density (per reference volume) = -0.2252477322 Kirchhoff stress -0.22399E-01 -0.28096E-02 -0.27225E-01 -0.28096E-02 0.42085E-01 0.39301E-01 -0.27225E-01 0.39301E-01 -0.78687E-03 *** step number: 18 *** Deformation gradient in current step 0.91000000 -0.09000000 -0.09000000 0.09000000 1.09000000 0.09000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.09895626 0.07954317 -0.02882531 energy density (per reference volume) = -0.2245768908 Kirchhoff stress -0.22808E-01 -0.31381E-02 -0.28200E-01 -0.31381E-02 0.44765E-01 0.41521E-01 -0.28200E-01 0.41521E-01 -0.79885E-03 *** step number: 19 *** Deformation gradient in current step 0.90500000 -0.09500000 -0.09500000 0.09500000 1.09500000 0.09500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.10584751 0.08397454 -0.03199274 energy density (per reference volume) = -0.2238750989 Kirchhoff stress -0.23122E-01 -0.34822E-02 -0.29114E-01 -0.34822E-02 0.47450E-01 0.43706E-01 -0.29114E-01 0.43706E-01 -0.79868E-03 *** step number: 20 *** Deformation gradient in current step 0.90000000 -0.10000000 -0.10000000 0.10000000 1.10000000 0.10000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.11290194 0.08842526 -0.03528750 energy density (per reference volume) = -0.2231432943 Kirchhoff stress -0.23343E-01 -0.38413E-02 -0.29969E-01 -0.38413E-02 0.50138E-01 0.45851E-01 -0.29969E-01 0.45851E-01 -0.78589E-03 *** step number: 21 *** Deformation gradient in current step 0.89500000 -0.10500000 -0.10500000 0.10500000 1.10500000 0.10500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.12011347 0.09290014 -0.03869699 energy density (per reference volume) = -0.2223824148 Kirchhoff stress -0.23475E-01 -0.42148E-02 -0.30767E-01 -0.42148E-02 0.52826E-01 0.47953E-01 -0.30767E-01 0.47953E-01 -0.76033E-03 *** step number: 22 *** Deformation gradient in current step 0.89000000 -0.11000000 -0.11000000 0.11000000 1.11000000 0.11000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.12747327 0.09740567 -0.04220641 energy density (per reference volume) = -0.2215933982 Kirchhoff stress -0.23523E-01 -0.46024E-02 -0.31512E-01 -0.46024E-02 0.55510E-01 0.50010E-01 -0.31512E-01 0.50010E-01 -0.72209E-03 *** step number: 23 *** Deformation gradient in current step 0.88500000 -0.11500000 -0.11500000 0.11500000 1.11500000 0.11500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.13496925 0.10194956 -0.04579794 energy density (per reference volume) = -0.2207771849 Kirchhoff stress -0.23490E-01 -0.50035E-02 -0.32206E-01 -0.50035E-02 0.58187E-01 0.52017E-01 -0.32206E-01 0.52017E-01 -0.67159E-03 *** step number: 24 *** Deformation gradient in current step 0.88000000 -0.12000000 -0.12000000 0.12000000 1.12000000 0.12000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.14258562 0.10654139 -0.04945021 energy density (per reference volume) = -0.2199347213 Kirchhoff stress -0.23383E-01 -0.54177E-02 -0.32850E-01 -0.54177E-02 0.60851E-01 0.53971E-01 -0.32850E-01 0.53971E-01 -0.60958E-03 *** step number: 25 *** Deformation gradient in current step 0.87500000 -0.12500000 -0.12500000 0.12500000 1.12500000 0.12500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.15030201 0.11119302 -0.05313755 energy density (per reference volume) = -0.2190669674 Kirchhoff stress -0.23205E-01 -0.58448E-02 -0.33446E-01 -0.58448E-02 0.63495E-01 0.55869E-01 -0.33446E-01 0.55869E-01 -0.53717E-03 *** step number: 26 *** Deformation gradient in current step 0.87000000 -0.13000000 -0.13000000 0.13000000 1.13000000 0.13000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.15809257 0.11591919 -0.05682862 energy density (per reference volume) = -0.2181749060 Kirchhoff stress -0.22963E-01 -0.62845E-02 -0.33995E-01 -0.62845E-02 0.66111E-01 0.57706E-01 -0.33995E-01 0.57706E-01 -0.45591E-03 *** step number: 27 *** Deformation gradient in current step 0.86500000 -0.13500000 -0.13500000 0.13500000 1.13500000 0.13500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.16592458 0.12073843 -0.06048491 energy density (per reference volume) = -0.2172595572 Kirchhoff stress -0.22664E-01 -0.67367E-02 -0.34499E-01 -0.67367E-02 0.68689E-01 0.59476E-01 -0.34499E-01 0.59476E-01 -0.36780E-03 *** step number: 28 *** Deformation gradient in current step 0.86000000 -0.14000000 -0.14000000 0.14000000 1.14000000 0.14000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.17375659 0.12567419 -0.06405842 energy density (per reference volume) = -0.2163219986 Kirchhoff stress -0.22312E-01 -0.72012E-02 -0.34955E-01 -0.72012E-02 0.71215E-01 0.61175E-01 -0.34955E-01 0.61175E-01 -0.27542E-03 *** step number: 29 *** Deformation gradient in current step 0.85500000 -0.14500000 -0.14500000 0.14500000 1.14500000 0.14500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.18153519 0.13075698 -0.06748817 energy density (per reference volume) = -0.2153633921 Kirchhoff stress -0.21916E-01 -0.76782E-02 -0.35362E-01 -0.76782E-02 0.73671E-01 0.62794E-01 -0.35362E-01 0.62794E-01 -0.18205E-03 *** step number: 30 *** Deformation gradient in current step 0.85000000 -0.15000000 -0.15000000 0.15000000 1.15000000 0.15000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.18919173 0.13602655 -0.07069544 energy density (per reference volume) = -0.2143850236 Kirchhoff stress -0.21485E-01 -0.81674E-02 -0.35715E-01 -0.81674E-02 0.76032E-01 0.64324E-01 -0.35715E-01 0.64324E-01 -0.91925E-04 *** step number: 31 *** Deformation gradient in current step 0.84500000 -0.15500000 -0.15500000 0.15500000 1.15500000 0.15500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.19663454 0.14153681 -0.07357589 energy density (per reference volume) = -0.2133883588 Kirchhoff stress -0.21025E-01 -0.86688E-02 -0.36009E-01 -0.86688E-02 0.78267E-01 0.65752E-01 -0.36009E-01 0.65752E-01 -0.10623E-04 *** step number: 32 *** Deformation gradient in current step 0.84000000 -0.16000000 -0.16000000 0.16000000 1.16000000 0.16000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.20373935 0.14736200 -0.07598716 energy density (per reference volume) = -0.2123751253 Kirchhoff stress -0.20550E-01 -0.91814E-02 -0.36231E-01 -0.91814E-02 0.80329E-01 0.67061E-01 -0.36231E-01 0.67061E-01 0.54227E-04 *** step number: 33 *** Deformation gradient in current step 0.83500000 -0.16500000 -0.16500000 0.16500000 1.16500000 0.16500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.21033099 0.15360878 -0.07772904 energy density (per reference volume) = -0.2113474401 Kirchhoff stress -0.20071E-01 -0.97036E-02 -0.36364E-01 -0.97036E-02 0.82154E-01 0.68224E-01 -0.36364E-01 0.68224E-01 0.91674E-04 *** step number: 34 *** Deformation gradient in current step 0.83000000 -0.17000000 -0.17000000 0.17000000 1.17000000 0.17000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.21615161 0.16043540 -0.07850811 energy density (per reference volume) = -0.2103080111 Kirchhoff stress -0.19608E-01 -0.10231E-01 -0.36380E-01 -0.10231E-01 0.83645E-01 0.69205E-01 -0.36380E-01 0.69205E-01 0.84745E-04 *** step number: 35 *** Deformation gradient in current step 0.82500000 -0.17500000 -0.17500000 0.17500000 1.17500000 0.17500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.22080763 0.16808694 -0.07787966 energy density (per reference volume) = -0.2092604742 Kirchhoff stress -0.19187E-01 -0.10753E-01 -0.36231E-01 -0.10753E-01 0.84649E-01 0.69942E-01 -0.36231E-01 0.69942E-01 0.55664E-05 *** step number: 36 *** Deformation gradient in current step 0.82000000 -0.18000000 -0.18000000 0.18000000 1.18000000 0.18000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.22367834 0.17695301 -0.07515220 energy density (per reference volume) = -0.2082099659 Kirchhoff stress -0.18849E-01 -0.11245E-01 -0.35838E-01 -0.11245E-01 0.84922E-01 0.70339E-01 -0.35838E-01 0.70339E-01 -0.19515E-03 *** step number: 37 *** Deformation gradient in current step 0.81500000 -0.18500000 -0.18500000 0.18500000 1.18500000 0.18500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.22384849 0.18762012 -0.06932487 energy density (per reference volume) = -0.2071640248 Kirchhoff stress -0.18659E-01 -0.11644E-01 -0.35070E-01 -0.11644E-01 0.84088E-01 0.70253E-01 -0.35070E-01 0.70253E-01 -0.60417E-03 *** step number: 38 *** Deformation gradient in current step 0.81000000 -0.19000000 -0.19000000 0.19000000 1.19000000 0.19000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.22061645 0.20059988 -0.05964790 energy density (per reference volume) = -0.2061332214 Kirchhoff stress -0.18692E-01 -0.11804E-01 -0.33781E-01 -0.11804E-01 0.81810E-01 0.69587E-01 -0.33781E-01 0.69587E-01 -0.13311E-02 *** step number: 39 *** Deformation gradient in current step 0.80500000 -0.19500000 -0.19500000 0.19500000 1.19500000 0.19500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.22717174 0.20603803 -0.06093579 energy density (per reference volume) = -0.2051156691 Kirchhoff stress -0.17767E-01 -0.11913E-01 -0.33743E-01 -0.11913E-01 0.84534E-01 0.70931E-01 -0.33743E-01 0.70931E-01 -0.66640E-03 *** step number: 40 *** Deformation gradient in current step 0.80000000 -0.20000000 -0.20000000 0.20000000 1.20000000 0.20000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.24296912 0.20423108 -0.07290123 energy density (per reference volume) = -0.2040557555 Kirchhoff stress -0.15999E-01 -0.12234E-01 -0.35021E-01 -0.12234E-01 0.91923E-01 0.74031E-01 -0.35021E-01 0.74031E-01 0.11819E-02 *** step number: 41 *** Deformation gradient in current step 0.79500000 -0.20500000 -0.20500000 0.20500000 1.20500000 0.20500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.25864555 0.20231990 -0.08515388 energy density (per reference volume) = -0.2029461603 Kirchhoff stress -0.14315E-01 -0.12572E-01 -0.36316E-01 -0.12572E-01 0.99202E-01 0.77002E-01 -0.36316E-01 0.77002E-01 0.28518E-02 *** step number: 42 *** Deformation gradient in current step 0.79000000 -0.21000000 -0.21000000 0.21000000 1.21000000 0.21000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.27411181 0.20030086 -0.09770975 energy density (per reference volume) = -0.2017877728 Kirchhoff stress -0.12727E-01 -0.12923E-01 -0.37617E-01 -0.12923E-01 0.10632E+00 0.79814E-01 -0.37617E-01 0.79814E-01 0.43169E-02 *** step number: 43 *** Deformation gradient in current step 0.78500000 -0.21500000 -0.21500000 0.21500000 1.21500000 0.21500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.28926587 0.19817188 -0.11059184 energy density (per reference volume) = -0.2005819489 Kirchhoff stress -0.11245E-01 -0.13280E-01 -0.38907E-01 -0.13280E-01 0.11321E+00 0.82433E-01 -0.38907E-01 0.82433E-01 0.55489E-02 *** step number: 44 *** Deformation gradient in current step 0.78000000 -0.22000000 -0.22000000 0.22000000 1.22000000 0.22000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.30399019 0.19593079 -0.12382942 energy density (per reference volume) = -0.1993305795 Kirchhoff stress -0.98801E-02 -0.13633E-01 -0.40170E-01 -0.13633E-01 0.11980E+00 0.84819E-01 -0.40170E-01 0.84819E-01 0.65161E-02 *** step number: 45 *** Deformation gradient in current step 0.77500000 -0.22500000 -0.22500000 0.22500000 1.22500000 0.22500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.31815075 0.19357730 -0.13746139 energy density (per reference volume) = -0.1980361663 Kirchhoff stress -0.86407E-02 -0.13972E-01 -0.41386E-01 -0.13972E-01 0.12603E+00 0.86930E-01 -0.41386E-01 0.86930E-01 0.71841E-02 *** step number: 46 *** Deformation gradient in current step 0.77000000 -0.23000000 -0.23000000 0.23000000 1.23000000 0.23000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.33159923 0.19111397 -0.15153714 energy density (per reference volume) = -0.1967018957 Kirchhoff stress -0.75355E-02 -0.14285E-01 -0.42531E-01 -0.14285E-01 0.13181E+00 0.88717E-01 -0.42531E-01 0.88717E-01 0.75161E-02 *** step number: 47 *** Deformation gradient in current step 0.76500000 -0.23500000 -0.23500000 0.23500000 1.23500000 0.23500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.34417926 0.18854869 -0.16611786 energy density (per reference volume) = -0.1953317015 Kirchhoff stress -0.65699E-02 -0.14557E-01 -0.43585E-01 -0.14557E-01 0.13704E+00 0.90134E-01 -0.43585E-01 0.90134E-01 0.74747E-02 *** step number: 48 *** Deformation gradient in current step 0.76000000 -0.24000000 -0.24000000 0.24000000 1.24000000 0.24000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.35574150 0.18589825 -0.18127595 energy density (per reference volume) = -0.1939302887 Kirchhoff stress -0.57440E-02 -0.14773E-01 -0.44525E-01 -0.14773E-01 0.14165E+00 0.91133E-01 -0.44525E-01 0.91133E-01 0.70261E-02 *** step number: 49 *** Deformation gradient in current step 0.75500000 -0.24500000 -0.24500000 0.24500000 1.24500000 0.24500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.36617647 0.18319360 -0.19708848 energy density (per reference volume) = -0.1925030701 Kirchhoff stress -0.50485E-02 -0.14921E-01 -0.45338E-01 -0.14921E-01 0.14557E+00 0.91681E-01 -0.45338E-01 0.91681E-01 0.61488E-02 *** step number: 50 *** Deformation gradient in current step 0.75000000 -0.25000000 -0.25000000 0.25000000 1.25000000 0.25000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.37547111 0.18048615 -0.21362198 energy density (per reference volume) = -0.1910559312 Kirchhoff stress -0.44570E-02 -0.14999E-01 -0.46023E-01 -0.14999E-01 0.14877E+00 0.91777E-01 -0.46023E-01 0.91777E-01 0.48475E-02 *** step number: 51 *** Deformation gradient in current step 0.74500000 -0.25500000 -0.25500000 0.25500000 1.25500000 0.25500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.73951339 0.31171399 -0.36845084 energy density (per reference volume) = -0.2076417938 Kirchhoff stress 0.94837E-01 -0.27950E-01 0.19760E-01 -0.27950E-01 0.11042E+00 0.29548E-01 0.19760E-01 0.29548E-01 0.28949E-01 *** step number: 52 *** Deformation gradient in current step 0.74000000 -0.26000000 -0.26000000 0.26000000 1.26000000 0.26000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.74398620 0.30449013 -0.37780273 energy density (per reference volume) = -0.2074694066 Kirchhoff stress 0.91749E-01 -0.27916E-01 0.16468E-01 -0.27916E-01 0.11853E+00 0.33210E-01 0.16468E-01 0.33210E-01 0.29905E-01 *** step number: 53 *** Deformation gradient in current step 0.73500000 -0.26500000 -0.26500000 0.26500000 1.26500000 0.26500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.74519570 0.29697256 -0.38767111 energy density (per reference volume) = -0.2072087963 Kirchhoff stress 0.88265E-01 -0.27711E-01 0.13376E-01 -0.27711E-01 0.12569E+00 0.36300E-01 0.13376E-01 0.36300E-01 0.30230E-01 *** step number: 54 *** Deformation gradient in current step 0.73000000 -0.27000000 -0.27000000 0.27000000 1.27000000 0.27000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.74999792 0.28897248 -0.39378958 energy density (per reference volume) = -0.2068641454 Kirchhoff stress 0.86024E-01 -0.28854E-01 0.83105E-02 -0.28854E-01 0.13848E+00 0.42124E-01 0.83105E-02 0.42124E-01 0.33029E-01 *** step number: 55 *** Deformation gradient in current step 0.72500000 -0.27500000 -0.27500000 0.27500000 1.27500000 0.27500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.77410665 0.27916909 -0.38373061 energy density (per reference volume) = -0.2062686527 Kirchhoff stress 0.88044E-01 -0.35915E-01 -0.51047E-02 -0.35915E-01 0.17473E+00 0.60403E-01 -0.51047E-02 0.60403E-01 0.46072E-01 *** step number: 56 *** Deformation gradient in current step 0.72000000 -0.28000000 -0.28000000 0.28000000 1.28000000 0.28000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.79670496 0.26949284 -0.37388396 energy density (per reference volume) = -0.2053406637 Kirchhoff stress 0.90020E-01 -0.43861E-01 -0.18552E-01 -0.43861E-01 0.21129E+00 0.79210E-01 -0.18552E-01 0.79210E-01 0.58893E-01 *** step number: 57 *** Deformation gradient in current step 0.71500000 -0.28500000 -0.28500000 0.28500000 1.28500000 0.28500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.81773137 0.26019103 -0.36470007 energy density (per reference volume) = -0.2040793901 Kirchhoff stress 0.92169E-01 -0.52565E-01 -0.31681E-01 -0.52565E-01 0.24758E+00 0.98121E-01 -0.31681E-01 0.98121E-01 0.71414E-01 *** step number: 58 *** Deformation gradient in current step 0.71000000 -0.29000000 -0.29000000 0.29000000 1.29000000 0.29000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.83705203 0.25149118 -0.35668723 energy density (per reference volume) = -0.2024927542 Kirchhoff stress 0.94660E-01 -0.61806E-01 -0.44098E-01 -0.61806E-01 0.28280E+00 0.11660E+00 -0.44098E-01 0.11660E+00 0.83491E-01 *** step number: 59 *** Deformation gradient in current step 0.70500000 -0.29500000 -0.29500000 0.29500000 1.29500000 0.29500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.85440716 0.24363587 -0.35056503 energy density (per reference volume) = -0.2005991223 Kirchhoff stress 0.97625E-01 -0.71235E-01 -0.55362E-01 -0.71235E-01 0.31589E+00 0.13396E+00 -0.55362E-01 0.13396E+00 0.94916E-01 *** step number: 60 *** Deformation gradient in current step 0.70000000 -0.30000000 -0.30000000 0.30000000 1.30000000 0.30000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.86922974 0.23693331 -0.34767258 energy density (per reference volume) = -0.1984302544 Kirchhoff stress 0.10121E+00 -0.80263E-01 -0.64905E-01 -0.80263E-01 0.34531E+00 0.14923E+00 -0.64905E-01 0.14923E+00 0.10536E+00 *** step number: 61 *** Deformation gradient in current step 0.69500000 -0.30500000 -0.30500000 0.30500000 1.30500000 0.30500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.87988102 0.23201764 -0.35203653 energy density (per reference volume) = -0.1960423274 Kirchhoff stress 0.10584E+00 -0.87419E-01 -0.71406E-01 -0.87419E-01 0.36726E+00 0.15996E+00 -0.71406E-01 0.15996E+00 0.11404E+00 *** step number: 62 *** Deformation gradient in current step 0.69000000 -0.31000000 -0.31000000 0.31000000 1.31000000 0.31000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.76794669 0.16703632 -0.71517725 energy density (per reference volume) = -0.2004556095 Kirchhoff stress 0.10654E+00 0.86437E-02 0.51842E-01 0.86437E-02 0.78692E-01 -0.28400E-01 0.51842E-01 -0.28400E-01 0.15588E-01 *** step number: 63 *** Deformation gradient in current step 0.68500000 -0.31500000 -0.31500000 0.31500000 1.31500000 0.31500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.76554042 0.16311110 -0.72338242 energy density (per reference volume) = -0.2009691452 Kirchhoff stress 0.10215E+00 0.96291E-02 0.50427E-01 0.96291E-02 0.82904E-01 -0.27607E-01 0.50427E-01 -0.27607E-01 0.14673E-01 *** step number: 64 *** Deformation gradient in current step 0.68000000 -0.32000000 -0.32000000 0.32000000 1.32000000 0.32000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.76275088 0.15920735 -0.73162240 energy density (per reference volume) = -0.2014280377 Kirchhoff stress 0.97669E-01 0.10565E-01 0.48929E-01 0.10565E-01 0.87153E-01 -0.26799E-01 0.48929E-01 -0.26799E-01 0.13675E-01 *** step number: 65 *** Deformation gradient in current step 0.67500000 -0.32500000 -0.32500000 0.32500000 1.32500000 0.32500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.75957851 0.15532441 -0.73985425 energy density (per reference volume) = -0.2018312832 Kirchhoff stress 0.93116E-01 0.11444E-01 0.47358E-01 0.11444E-01 0.91427E-01 -0.25982E-01 0.47358E-01 -0.25982E-01 0.12602E-01 *** step number: 66 *** Deformation gradient in current step 0.67000000 -0.33000000 -0.33000000 0.33000000 1.33000000 0.33000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.75602536 0.15146201 -0.74803745 energy density (per reference volume) = -0.2021781058 Kirchhoff stress 0.88511E-01 0.12261E-01 0.45725E-01 0.12261E-01 0.95713E-01 -0.25159E-01 0.45725E-01 -0.25159E-01 0.11461E-01 *** step number: 67 *** Deformation gradient in current step 0.66500000 -0.33500000 -0.33500000 0.33500000 1.33500000 0.33500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.75209457 0.14762006 -0.75613303 energy density (per reference volume) = -0.2024679512 Kirchhoff stress 0.83870E-01 0.13011E-01 0.44038E-01 0.13011E-01 0.99995E-01 -0.24332E-01 0.44038E-01 -0.24332E-01 0.10260E-01 *** step number: 68 *** Deformation gradient in current step 0.66000000 -0.34000000 -0.34000000 0.34000000 1.34000000 0.34000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.74779005 0.14379867 -0.76410371 energy density (per reference volume) = -0.2027004811 Kirchhoff stress 0.79210E-01 0.13691E-01 0.42306E-01 0.13691E-01 0.10426E+00 -0.23504E-01 0.42306E-01 -0.23504E-01 0.90065E-02 *** step number: 69 *** Deformation gradient in current step 0.65500000 -0.34500000 -0.34500000 0.34500000 1.34500000 0.34500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.74311576 0.13999879 -0.77191303 energy density (per reference volume) = -0.2028755691 Kirchhoff stress 0.74546E-01 0.14295E-01 0.40535E-01 0.14295E-01 0.10848E+00 -0.22677E-01 0.40535E-01 -0.22677E-01 0.77061E-02 *** step number: 70 *** Deformation gradient in current step 0.65000000 -0.35000000 -0.35000000 0.35000000 1.35000000 0.35000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.73807602 0.13622215 -0.77952575 energy density (per reference volume) = -0.2029932967 Kirchhoff stress 0.69891E-01 0.14822E-01 0.38736E-01 0.14822E-01 0.11265E+00 -0.21853E-01 0.38736E-01 -0.21853E-01 0.63657E-02 *** step number: 71 *** Deformation gradient in current step 0.64500000 -0.35500000 -0.35500000 0.35500000 1.35500000 0.35500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.73267449 0.13247195 -0.78690700 energy density (per reference volume) = -0.2030539512 Kirchhoff stress 0.65258E-01 0.15269E-01 0.36913E-01 0.15269E-01 0.11675E+00 -0.21033E-01 0.36913E-01 -0.21033E-01 0.49917E-02 *** step number: 72 *** Deformation gradient in current step 0.64000000 -0.36000000 -0.36000000 0.36000000 1.36000000 0.36000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.72691373 0.12875384 -0.79402213 energy density (per reference volume) = -0.2030580238 Kirchhoff stress 0.60658E-01 0.15635E-01 0.35076E-01 0.15635E-01 0.12075E+00 -0.20217E-01 0.35076E-01 -0.20217E-01 0.35902E-02 *** step number: 73 *** Deformation gradient in current step 0.63500000 -0.36500000 -0.36500000 0.36500000 1.36500000 0.36500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.72079418 0.12507668 -0.80083659 energy density (per reference volume) = -0.2030062093 Kirchhoff stress 0.56102E-01 0.15918E-01 0.33230E-01 0.15918E-01 0.12463E+00 -0.19407E-01 0.33230E-01 -0.19407E-01 0.21673E-02 *** step number: 74 *** Deformation gradient in current step 0.63000000 -0.37000000 -0.37000000 0.37000000 1.37000000 0.37000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.71431265 0.12145506 -0.80731521 energy density (per reference volume) = -0.2028994062 Kirchhoff stress 0.51599E-01 0.16118E-01 0.31383E-01 0.16118E-01 0.12837E+00 -0.18603E-01 0.31383E-01 -0.18603E-01 0.72928E-03 *** step number: 75 *** Deformation gradient in current step 0.62500000 -0.37500000 -0.37500000 0.37500000 1.37500000 0.37500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.70745855 0.11791183 -0.81342094 energy density (per reference volume) = -0.2027387192 Kirchhoff stress 0.47158E-01 0.16234E-01 0.29540E-01 0.16234E-01 0.13194E+00 -0.17804E-01 0.29540E-01 -0.17804E-01 -0.71740E-03 *** step number: 76 *** Deformation gradient in current step 0.62000000 -0.38000000 -0.38000000 0.38000000 1.38000000 0.38000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.70021011 0.11448412 -0.81911382 energy density (per reference volume) = -0.2025254636 Kirchhoff stress 0.42787E-01 0.16269E-01 0.27708E-01 0.16269E-01 0.13531E+00 -0.17008E-01 0.27708E-01 -0.17008E-01 -0.21657E-02 *** step number: 77 *** Deformation gradient in current step 0.61500000 -0.38500000 -0.38500000 0.38500000 1.38500000 0.38500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.69252392 0.11123304 -0.82434740 energy density (per reference volume) = -0.2022611760 Kirchhoff stress 0.38494E-01 0.16224E-01 0.25895E-01 0.16224E-01 0.13845E+00 -0.16215E-01 0.25895E-01 -0.16215E-01 -0.36074E-02 *** step number: 78 *** Deformation gradient in current step 0.61000000 -0.39000000 -0.39000000 0.39000000 1.39000000 0.39000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.68431678 0.10826466 -0.82906131 energy density (per reference volume) = -0.2019476375 Kirchhoff stress 0.34284E-01 0.16100E-01 0.24106E-01 0.16100E-01 0.14131E+00 -0.15419E-01 0.24106E-01 -0.15419E-01 -0.50320E-02 *** step number: 79 *** Deformation gradient in current step 0.60500000 -0.39500000 -0.39500000 0.39500000 1.39500000 0.39500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.67542345 0.10577711 -0.83316236 energy density (per reference volume) = -0.2015869314 Kirchhoff stress 0.30167E-01 0.15902E-01 0.22353E-01 0.15902E-01 0.14383E+00 -0.14614E-01 0.22353E-01 -0.14614E-01 -0.64233E-02 *** step number: 80 *** Deformation gradient in current step 0.60000000 -0.40000000 -0.40000000 0.40000000 1.40000000 0.40000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.66548567 0.10418962 -0.83646686 energy density (per reference volume) = -0.2011816049 Kirchhoff stress 0.26155E-01 0.15631E-01 0.20653E-01 0.15631E-01 0.14591E+00 -0.13783E-01 0.20653E-01 -0.13783E-01 -0.77510E-02 *** step number: 81 *** Deformation gradient in current step 0.59500000 -0.40500000 -0.40500000 0.40500000 1.40500000 0.40500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.65355581 0.10462215 -0.83846098 energy density (per reference volume) = -0.2007352276 Kirchhoff stress 0.22282E-01 0.15289E-01 0.19060E-01 0.15289E-01 0.14725E+00 -0.12886E-01 0.19060E-01 -0.12886E-01 -0.89370E-02 *** step number: 82 *** Deformation gradient in current step 0.59000000 -0.41000000 -0.41000000 0.41000000 1.41000000 0.41000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.63486624 0.11304727 -0.83592687 energy density (per reference volume) = -0.2002557228 Kirchhoff stress 0.18738E-01 0.14814E-01 0.17894E-01 0.14814E-01 0.14595E+00 -0.11719E-01 0.17894E-01 -0.11719E-01 -0.95526E-02 *** step number: 83 *** Deformation gradient in current step 0.58500000 -0.41500000 -0.41500000 0.41500000 1.41500000 0.41500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.61617180 0.12112464 -0.83254380 energy density (per reference volume) = -0.1997695262 Kirchhoff stress 0.15686E-01 0.14039E-01 0.16843E-01 0.14039E-01 0.14501E+00 -0.10431E-01 0.16843E-01 -0.10431E-01 -0.98973E-02 *** step number: 84 *** Deformation gradient in current step 0.58000000 -0.42000000 -0.42000000 0.42000000 1.42000000 0.42000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.61014729 0.11239599 -0.83879326 energy density (per reference volume) = -0.1992306909 Kirchhoff stress 0.12132E-01 0.13431E-01 0.14783E-01 0.13431E-01 0.14997E+00 -0.96749E-02 0.14783E-01 -0.96749E-02 -0.11477E-01 *** step number: 85 *** Deformation gradient in current step 0.57500000 -0.42500000 -0.42500000 0.42500000 1.42500000 0.42500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.60454447 0.10344782 -0.84443180 energy density (per reference volume) = -0.1986368752 Kirchhoff stress 0.85630E-02 0.12743E-01 0.12730E-01 0.12743E-01 0.15424E+00 -0.89336E-02 0.12730E-01 -0.89336E-02 -0.13130E-01 *** step number: 86 *** Deformation gradient in current step 0.57000000 -0.43000000 -0.43000000 0.43000000 1.43000000 0.43000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.59944530 0.09426610 -0.84940523 energy density (per reference volume) = -0.1979919719 Kirchhoff stress 0.49718E-02 0.11990E-01 0.10688E-01 0.11990E-01 0.15768E+00 -0.82215E-02 0.10688E-01 -0.82215E-02 -0.14862E-01 *** step number: 87 *** Deformation gradient in current step 0.56500000 -0.43500000 -0.43500000 0.43500000 1.43500000 0.43500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.59491157 0.08484156 -0.85367526 energy density (per reference volume) = -0.1973005499 Kirchhoff stress 0.13516E-02 0.11193E-01 0.86555E-02 0.11193E-01 0.16016E+00 -0.75551E-02 0.86555E-02 -0.75551E-02 -0.16677E-01 *** step number: 88 *** Deformation gradient in current step 0.56000000 -0.44000000 -0.44000000 0.44000000 1.44000000 0.44000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.59095200 0.07517182 -0.85723584 energy density (per reference volume) = -0.1965677097 Kirchhoff stress -0.23025E-02 0.10383E-01 0.66267E-02 0.10383E-01 0.16163E+00 -0.69521E-02 0.66267E-02 -0.69521E-02 -0.18582E-01 *** step number: 89 *** Deformation gradient in current step 0.55500000 -0.44500000 -0.44500000 0.44500000 1.44500000 0.44500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.58748909 0.06526872 -0.86013981 energy density (per reference volume) = -0.1957987549 Kirchhoff stress -0.59910E-02 0.95945E-02 0.45874E-02 0.95945E-02 0.16209E+00 -0.64308E-02 0.45874E-02 -0.64308E-02 -0.20578E-01 *** step number: 90 *** Deformation gradient in current step 0.55000000 -0.45000000 -0.45000000 0.45000000 1.45000000 0.45000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.58431985 0.05516498 -0.86252603 energy density (per reference volume) = -0.1949986211 Kirchhoff stress -0.97062E-02 0.88709E-02 0.25144E-02 0.88709E-02 0.16168E+00 -0.60065E-02 0.25144E-02 -0.60065E-02 -0.22662E-01 *** step number: 91 *** Deformation gradient in current step 0.54500000 -0.45500000 -0.45500000 0.45500000 1.45500000 0.45500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.57765177 0.04566899 -0.86695799 energy density (per reference volume) = -0.1941691627 Kirchhoff stress -0.12285E-01 0.84563E-02 0.37439E-03 0.84563E-02 0.16686E+00 -0.56479E-02 0.37439E-03 -0.56479E-02 -0.23900E-01 *** step number: 92 *** Deformation gradient in current step 0.54000000 -0.46000000 -0.46000000 0.46000000 1.46000000 0.46000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.55146006 0.04027602 -0.88422713 energy density (per reference volume) = -0.1932049894 Kirchhoff stress -0.85518E-02 0.90881E-02 -0.18394E-02 0.90881E-02 0.20786E+00 -0.50846E-02 -0.18394E-02 -0.50846E-02 -0.19964E-01 *** step number: 93 *** Deformation gradient in current step 0.53500000 -0.46500000 -0.46500000 0.46500000 1.46500000 0.46500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.52477553 0.03488876 -0.90150803 energy density (per reference volume) = -0.1920311990 Kirchhoff stress -0.48746E-02 0.94378E-02 -0.40714E-02 0.94378E-02 0.25251E+00 -0.44778E-02 -0.40714E-02 -0.44778E-02 -0.15835E-01 *** step number: 94 *** Deformation gradient in current step 0.53000000 -0.47000000 -0.47000000 0.47000000 1.47000000 0.47000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.49777138 0.02953964 -0.91874835 energy density (per reference volume) = -0.1906288734 Kirchhoff stress -0.13048E-02 0.94561E-02 -0.63014E-02 0.94561E-02 0.30081E+00 -0.38362E-02 -0.63014E-02 -0.38362E-02 -0.11540E-01 *** step number: 95 *** Deformation gradient in current step 0.52500000 -0.47500000 -0.47500000 0.47500000 1.47500000 0.47500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.47066436 0.02426364 -0.93586341 energy density (per reference volume) = -0.1889790890 Kirchhoff stress 0.21083E-02 0.90923E-02 -0.85116E-02 0.90923E-02 0.35271E+00 -0.31704E-02 -0.85116E-02 -0.31704E-02 -0.71102E-02 *** step number: 96 *** Deformation gradient in current step 0.52000000 -0.48000000 -0.48000000 0.48000000 1.48000000 0.48000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.44372424 0.01909861 -0.95273058 energy density (per reference volume) = -0.1870634449 Kirchhoff stress 0.53174E-02 0.82958E-02 -0.10689E-01 0.82958E-02 0.40801E+00 -0.24927E-02 -0.10689E-01 -0.24927E-02 -0.25873E-02 *** step number: 97 *** Deformation gradient in current step 0.51500000 -0.48500000 -0.48500000 0.48500000 1.48500000 0.48500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.41726604 0.01407780 -0.96917917 energy density (per reference volume) = -0.1848648615 Kirchhoff stress 0.82795E-02 0.70190E-02 -0.12826E-01 0.70190E-02 0.46631E+00 -0.18171E-02 -0.12826E-01 -0.18171E-02 0.19793E-02 *** step number: 98 *** Deformation gradient in current step 0.51000000 -0.49000000 -0.49000000 0.49000000 1.49000000 0.49000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.39164758 0.00922544 -0.98498813 energy density (per reference volume) = -0.1823687331 Kirchhoff stress 0.10956E-01 0.52218E-02 -0.14923E-01 0.52218E-02 0.52696E+00 -0.11607E-02 -0.14923E-01 -0.11607E-02 0.65316E-02 *** step number: 99 *** Deformation gradient in current step 0.50500000 -0.49500000 -0.49500000 0.49500000 1.49500000 0.49500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.36724662 0.00454410 -0.99988546 energy density (per reference volume) = -0.1795644886 Kirchhoff stress 0.13314E-01 0.28805E-02 -0.16988E-01 0.28805E-02 0.58896E+00 -0.54490E-03 -0.16988E-01 -0.54490E-03 0.11004E-01 *** step number: 100 *** Deformation gradient in current step 0.50000000 -0.50000000 -0.50000000 0.50000000 1.50000000 0.50000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35799474 1.35799474 1.35799474 -0.34443812 0.00000000 -1.01355662 energy density (per reference volume) = -0.1764475573 Kirchhoff stress 0.15325E-01 -0.83080E-10 -0.19040E-01 -0.83080E-10 0.65085E+00 0.83080E-10 -0.19040E-01 0.83080E-10 0.15325E-01 * CB-KIM calculation successfully completed