---------------------------------------------------------------------------- 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 KIM Model name: Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 Match failed; removing process_d2Edr2 and trying again. Moduli calculation disabled. Preconditioning disabled in lattice parameter optimization. Maximum cut-off distance: 3.0500000000 **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 0.00000000000000000000 1.59721424492494734615 1.59721424492494734615 1.59721424492494734615 0.00000000000000000000 1.59721424492494734615 1.59721424492494756819 1.59721424492494756819 0.00000000000000000000 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 0.53908178244596904882 1.04525143736558812080 1.06554844155915029447 **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 0.53908178 1.04525144 1.06554844 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -1.931337020 Kirchhoff stress -0.66541E+01 -0.26160E+01 -0.38753E+01 -0.26160E+01 -0.59262E+01 0.20910E+01 -0.38753E+01 0.20910E+01 -0.50397E+01 *** 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 0.53908178 1.04525144 1.06554844 0.00577144 -0.00612349 -0.00567924 energy density (per reference volume) = 17.70193555 Kirchhoff stress -0.22778E+02 0.13953E+02 0.12123E+02 0.13953E+02 -0.22919E+02 -0.13877E+02 0.12123E+02 -0.13877E+02 -0.20394E+02 *** 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 0.53908178 1.04525144 1.06554844 0.01310047 -0.01410811 -0.01315684 energy density (per reference volume) = 17.16641709 Kirchhoff stress -0.23085E+02 0.13717E+02 0.11940E+02 0.13717E+02 -0.22932E+02 -0.13392E+02 0.11940E+02 -0.13392E+02 -0.19968E+02 *** 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 0.53908178 1.04525144 1.06554844 0.02252355 -0.02469039 -0.02318239 energy density (per reference volume) = 16.54986748 Kirchhoff stress -0.23459E+02 0.13456E+02 0.11688E+02 0.13456E+02 -0.23030E+02 -0.12871E+02 0.11688E+02 -0.12871E+02 -0.19830E+02 *** 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 0.53908178 1.04525144 1.06554844 0.03156760 -0.03522388 -0.03322135 energy density (per reference volume) = 15.99206296 Kirchhoff stress -0.23767E+02 0.13171E+02 0.11375E+02 0.13171E+02 -0.23139E+02 -0.12316E+02 0.11375E+02 -0.12316E+02 -0.19845E+02 *** 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 0.53908178 1.04525144 1.06554844 0.03998494 -0.04588534 -0.04322625 energy density (per reference volume) = 15.48961692 Kirchhoff stress -0.23980E+02 0.12852E+02 0.11017E+02 0.12852E+02 -0.23251E+02 -0.11766E+02 0.11017E+02 -0.11766E+02 -0.19857E+02 *** 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 0.53908178 1.04525144 1.06554844 0.04785485 -0.05634894 -0.05310188 energy density (per reference volume) = 15.04219557 Kirchhoff stress -0.24101E+02 0.12502E+02 0.10623E+02 0.12502E+02 -0.23365E+02 -0.11215E+02 0.10623E+02 -0.11215E+02 -0.19861E+02 *** 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 0.53908178 1.04525144 1.06554844 0.05555496 -0.06714424 -0.06338320 energy density (per reference volume) = 14.62947121 Kirchhoff stress -0.24128E+02 0.12101E+02 0.10176E+02 0.12101E+02 -0.23472E+02 -0.10652E+02 0.10176E+02 -0.10652E+02 -0.19876E+02 *** 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 0.53908178 1.04525144 1.06554844 0.06261795 -0.07766024 -0.07352787 energy density (per reference volume) = 14.26570156 Kirchhoff stress -0.24058E+02 0.11671E+02 0.96962E+01 0.11671E+02 -0.23579E+02 -0.10091E+02 0.96962E+01 -0.10091E+02 -0.19880E+02 *** 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 0.53908178 1.04525144 1.06554844 0.06928994 -0.08828233 -0.08396385 energy density (per reference volume) = 13.93670009 Kirchhoff stress -0.23892E+02 0.11197E+02 0.91720E+01 0.11197E+02 -0.23682E+02 -0.95272E+01 0.91720E+01 -0.95272E+01 -0.19887E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56482595 0.45324861 -1.06900913 energy density (per reference volume) = 8.804685754 Kirchhoff stress -0.25615E+02 -0.31609E+00 0.27422E+01 -0.31609E+00 -0.18664E+02 -0.28538E+01 0.27422E+01 -0.28538E+01 -0.20415E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56623728 0.44627725 -1.06379042 energy density (per reference volume) = 8.813660684 Kirchhoff stress -0.26762E+02 -0.41178E+00 0.29367E+01 -0.41178E+00 -0.18600E+02 -0.29965E+01 0.29367E+01 -0.29965E+01 -0.20384E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56723191 0.43940138 -1.05801951 energy density (per reference volume) = 8.826903980 Kirchhoff stress -0.27808E+02 -0.52059E+00 0.31090E+01 -0.52059E+00 -0.18516E+02 -0.31223E+01 0.31090E+01 -0.31223E+01 -0.20322E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56778116 0.43262687 -1.05173210 energy density (per reference volume) = 8.844171587 Kirchhoff stress -0.28732E+02 -0.64076E+00 0.32575E+01 -0.64076E+00 -0.18407E+02 -0.32311E+01 0.32575E+01 -0.32311E+01 -0.20230E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56786551 0.42594127 -1.04496080 energy density (per reference volume) = 8.865162271 Kirchhoff stress -0.29523E+02 -0.77055E+00 0.33812E+01 -0.77055E+00 -0.18270E+02 -0.33228E+01 0.33812E+01 -0.33228E+01 -0.20108E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56747200 0.41932010 -1.03773290 energy density (per reference volume) = 8.889534268 Kirchhoff stress -0.30168E+02 -0.90816E+00 0.34795E+01 -0.90816E+00 -0.18103E+02 -0.33973E+01 0.34795E+01 -0.33973E+01 -0.19956E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56659192 0.41273170 -1.03006959 energy density (per reference volume) = 8.916923482 Kirchhoff stress -0.30664E+02 -0.10517E+01 0.35521E+01 -0.10517E+01 -0.17903E+02 -0.34544E+01 0.35521E+01 -0.34544E+01 -0.19776E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56521892 0.40614075 -1.02198621 energy density (per reference volume) = 8.946961975 Kirchhoff stress -0.31009E+02 -0.11993E+01 0.35993E+01 -0.11993E+01 -0.17667E+02 -0.34943E+01 0.35993E+01 -0.34943E+01 -0.19568E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56334754 0.39951048 -1.01349286 energy density (per reference volume) = 8.979295522 Kirchhoff stress -0.31208E+02 -0.13489E+01 0.36215E+01 -0.13489E+01 -0.17395E+02 -0.35170E+01 0.36215E+01 -0.35170E+01 -0.19332E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.56037000 0.39365207 -1.00387755 energy density (per reference volume) = 9.013568167 Kirchhoff stress -0.31302E+02 -0.15340E+01 0.36013E+01 -0.15340E+01 -0.17141E+02 -0.35871E+01 0.36013E+01 -0.35871E+01 -0.19135E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.55451940 0.39068326 -0.99099244 energy density (per reference volume) = 9.048347359 Kirchhoff stress -0.31399E+02 -0.18673E+01 0.34829E+01 -0.18673E+01 -0.17088E+02 -0.38994E+01 0.34829E+01 -0.38994E+01 -0.19180E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.54851072 0.38655521 -0.97800947 energy density (per reference volume) = 9.082765993 Kirchhoff stress -0.31344E+02 -0.21920E+01 0.33491E+01 -0.21920E+01 -0.16993E+02 -0.41708E+01 0.33491E+01 -0.41708E+01 -0.19169E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.54232075 0.38133253 -0.96488782 energy density (per reference volume) = 9.116598686 Kirchhoff stress -0.31151E+02 -0.25021E+01 0.32016E+01 -0.25021E+01 -0.16849E+02 -0.44029E+01 0.32016E+01 -0.44029E+01 -0.19101E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.53591296 0.37511524 -0.95160178 energy density (per reference volume) = 9.149710159 Kirchhoff stress -0.30835E+02 -0.27922E+01 0.30420E+01 -0.27922E+01 -0.16650E+02 -0.45973E+01 0.30420E+01 -0.45973E+01 -0.18974E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.53019425 0.35811421 -0.94231932 energy density (per reference volume) = 9.182723879 Kirchhoff stress -0.30321E+02 -0.27027E+01 0.30152E+01 -0.27027E+01 -0.16426E+02 -0.46595E+01 0.30152E+01 -0.46595E+01 -0.18532E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.49685957 0.30041047 -0.88014416 energy density (per reference volume) = 9.204028276 Kirchhoff stress -0.29301E+02 -0.14852E+01 0.18863E+01 -0.14852E+01 -0.17605E+02 -0.53341E+01 0.18863E+01 -0.53341E+01 -0.19057E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.48622667 0.27451404 -0.86054963 energy density (per reference volume) = 9.226928663 Kirchhoff stress -0.29111E+02 -0.12132E+01 0.14698E+01 -0.12132E+01 -0.17799E+02 -0.54932E+01 0.14698E+01 -0.54932E+01 -0.18976E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.47144774 0.21136329 -0.79760476 energy density (per reference volume) = 9.239755845 Kirchhoff stress -0.27706E+02 -0.61072E+00 0.11902E+01 -0.61072E+00 -0.18917E+02 -0.59944E+01 0.11902E+01 -0.59944E+01 -0.19225E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.47144774 0.21136329 -0.79760476 energy density (per reference volume) = 9.250237129 Kirchhoff stress -0.27790E+02 -0.67253E+00 0.10208E+01 -0.67253E+00 -0.18479E+02 -0.57478E+01 0.10208E+01 -0.57478E+01 -0.19037E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45482732 0.16872807 -0.76537384 energy density (per reference volume) = 9.249808257 Kirchhoff stress -0.26577E+02 -0.70017E+00 0.10943E+01 -0.70017E+00 -0.19691E+02 -0.64706E+01 0.10943E+01 -0.64706E+01 -0.18736E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45519829 0.14930946 -0.73813349 energy density (per reference volume) = 9.238560050 Kirchhoff stress -0.25898E+02 -0.58648E+00 0.95788E+00 -0.58648E+00 -0.19934E+02 -0.68224E+01 0.95788E+00 -0.68224E+01 -0.18908E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45477692 0.13716801 -0.72993339 energy density (per reference volume) = 9.229497962 Kirchhoff stress -0.26128E+02 -0.40978E+00 0.89544E+00 -0.40978E+00 -0.20245E+02 -0.67248E+01 0.89544E+00 -0.67248E+01 -0.19038E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45390416 0.12512933 -0.72149329 energy density (per reference volume) = 9.221379125 Kirchhoff stress -0.26471E+02 -0.26056E+00 0.83898E+00 -0.26056E+00 -0.20532E+02 -0.66126E+01 0.83898E+00 -0.66126E+01 -0.19136E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45253898 0.11311390 -0.71277497 energy density (per reference volume) = 9.214330320 Kirchhoff stress -0.26751E+02 -0.11136E+00 0.78754E+00 -0.11136E+00 -0.20788E+02 -0.64869E+01 0.78754E+00 -0.64869E+01 -0.19191E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.45064404 0.10105700 -0.70375083 energy density (per reference volume) = 9.208221723 Kirchhoff stress -0.26958E+02 0.36093E-01 0.73935E+00 0.36093E-01 -0.21008E+02 -0.63487E+01 0.73935E+00 -0.63487E+01 -0.19196E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.44818612 0.08890935 -0.69441067 energy density (per reference volume) = 9.202897242 Kirchhoff stress -0.27081E+02 0.18006E+00 0.69193E+00 0.18006E+00 -0.21188E+02 -0.61984E+01 0.69193E+00 -0.61984E+01 -0.19142E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.44514123 0.07664113 -0.68476695 energy density (per reference volume) = 9.197996880 Kirchhoff stress -0.27120E+02 0.34434E+00 0.66058E+00 0.34434E+00 -0.21423E+02 -0.61068E+01 0.66058E+00 -0.61068E+01 -0.19074E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.44152732 0.06425437 -0.67486894 energy density (per reference volume) = 9.191702834 Kirchhoff stress -0.27072E+02 0.54528E+00 0.65243E+00 0.54528E+00 -0.21766E+02 -0.61161E+01 0.65243E+00 -0.61161E+01 -0.19015E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.43734909 0.05178485 -0.66482127 energy density (per reference volume) = 9.183230137 Kirchhoff stress -0.26928E+02 0.75004E+00 0.63949E+00 0.75004E+00 -0.22093E+02 -0.61338E+01 0.63949E+00 -0.61338E+01 -0.18896E+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 0.53908178 1.04525144 1.06554844 -0.43260330 0.03930087 -0.65478051 energy density (per reference volume) = 9.172225910 Kirchhoff stress -0.26690E+02 0.95431E+00 0.61554E+00 0.95431E+00 -0.22396E+02 -0.61491E+01 0.61554E+00 -0.61491E+01 -0.18713E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.42727523 0.02690816 -0.64496529 energy density (per reference volume) = 9.158486120 Kirchhoff stress -0.26363E+02 0.11524E+01 0.57461E+00 0.11524E+01 -0.22666E+02 -0.61491E+01 0.57461E+00 -0.61491E+01 -0.18466E+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 0.53908178 1.04525144 1.06554844 -0.42171616 0.01792502 -0.63716910 energy density (per reference volume) = 9.142132728 Kirchhoff stress -0.26092E+02 0.13470E+01 0.53662E+00 0.13470E+01 -0.22839E+02 -0.60508E+01 0.53662E+00 -0.60508E+01 -0.18250E+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 0.53908178 1.04525144 1.06554844 -0.41662552 0.00649225 -0.62776953 energy density (per reference volume) = 9.122593579 Kirchhoff stress -0.25729E+02 0.16094E+01 0.52268E+00 0.16094E+01 -0.23041E+02 -0.60516E+01 0.52268E+00 -0.60516E+01 -0.18026E+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 0.53908178 1.04525144 1.06554844 -0.40666037 -0.00704822 -0.61372485 energy density (per reference volume) = 9.099353802 Kirchhoff stress -0.25134E+02 0.19673E+01 0.46394E+00 0.19673E+01 -0.23206E+02 -0.58555E+01 0.46394E+00 -0.58555E+01 -0.17793E+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 0.53908178 1.04525144 1.06554844 -0.39644680 -0.01432313 -0.61487956 energy density (per reference volume) = 9.075755540 Kirchhoff stress -0.24621E+02 0.19550E+01 0.37318E+00 0.19550E+01 -0.23388E+02 -0.55122E+01 0.37318E+00 -0.55122E+01 -0.17584E+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 0.53908178 1.04525144 1.06554844 -0.38029691 -0.02386373 -0.61000522 energy density (per reference volume) = 9.050007624 Kirchhoff stress -0.23703E+02 0.19765E+01 0.31490E+00 0.19765E+01 -0.23385E+02 -0.50047E+01 0.31490E+00 -0.50047E+01 -0.17287E+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 0.53908178 1.04525144 1.06554844 -0.36571472 -0.03471859 -0.60467970 energy density (per reference volume) = 9.022164167 Kirchhoff stress -0.22691E+02 0.19980E+01 0.14311E+00 0.19980E+01 -0.23332E+02 -0.44836E+01 0.14311E+00 -0.44836E+01 -0.16971E+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 0.53908178 1.04525144 1.06554844 -0.35314129 -0.04806929 -0.60872278 energy density (per reference volume) = 8.994389391 Kirchhoff stress -0.21850E+02 0.18753E+01 -0.47210E+00 0.18753E+01 -0.23669E+02 -0.39944E+01 -0.47210E+00 -0.39944E+01 -0.16929E+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 0.53908178 1.04525144 1.06554844 -0.34106118 -0.05635539 -0.61161804 energy density (per reference volume) = 8.972453827 Kirchhoff stress -0.21972E+02 0.19633E+01 -0.10146E+01 0.19633E+01 -0.23663E+02 -0.33178E+01 -0.10146E+01 -0.33178E+01 -0.16933E+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 0.53908178 1.04525144 1.06554844 -0.34106118 -0.05635539 -0.61161804 energy density (per reference volume) = 8.958430885 Kirchhoff stress -0.22595E+02 0.21496E+01 -0.15112E+01 0.21496E+01 -0.23082E+02 -0.26320E+01 -0.15112E+01 -0.26320E+01 -0.16818E+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 0.53908178 1.04525144 1.06554844 -0.33476586 -0.06414568 -0.61871993 energy density (per reference volume) = 8.954706460 Kirchhoff stress -0.22910E+02 0.20748E+01 -0.21062E+01 0.20748E+01 -0.23074E+02 -0.20856E+01 -0.21062E+01 -0.20856E+01 -0.16835E+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 0.53908178 1.04525144 1.06554844 -0.33117159 -0.06704792 -0.61974050 energy density (per reference volume) = 8.959373485 Kirchhoff stress -0.23369E+02 0.19763E+01 -0.27332E+01 0.19763E+01 -0.22658E+02 -0.15527E+01 -0.27332E+01 -0.15527E+01 -0.16916E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.32753932 -0.07245233 -0.62095150 energy density (per reference volume) = 8.973891211 Kirchhoff stress -0.23760E+02 0.17914E+01 -0.34527E+01 0.17914E+01 -0.22266E+02 -0.10603E+01 -0.34527E+01 -0.10603E+01 -0.17019E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.32094712 -0.08180648 -0.62290665 energy density (per reference volume) = 8.998062815 Kirchhoff stress -0.23888E+02 0.16112E+01 -0.41403E+01 0.16112E+01 -0.22254E+02 -0.51545E+00 -0.41403E+01 -0.51545E+00 -0.17068E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.31104223 -0.09425012 -0.62352106 energy density (per reference volume) = 9.026170233 Kirchhoff stress -0.23788E+02 0.16379E+01 -0.47187E+01 0.16379E+01 -0.23074E+02 -0.20473E-01 -0.47187E+01 -0.20473E-01 -0.17176E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.30161547 -0.10818251 -0.62490486 energy density (per reference volume) = 9.053622427 Kirchhoff stress -0.23619E+02 0.17604E+01 -0.52098E+01 0.17604E+01 -0.24258E+02 0.17003E+00 -0.52098E+01 0.17003E+00 -0.17436E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.29904127 -0.11303522 -0.62637484 energy density (per reference volume) = 9.078366652 Kirchhoff stress -0.23697E+02 0.17193E+01 -0.55769E+01 0.17193E+01 -0.24691E+02 0.26931E+00 -0.55769E+01 0.26931E+00 -0.17650E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.28457252 -0.12547037 -0.63081929 energy density (per reference volume) = 9.102598233 Kirchhoff stress -0.23310E+02 0.16917E+01 -0.57645E+01 0.16917E+01 -0.25610E+02 0.37878E+00 -0.57645E+01 0.37878E+00 -0.17946E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.28313851 -0.12810674 -0.63234272 energy density (per reference volume) = 9.122955860 Kirchhoff stress -0.23240E+02 0.15228E+01 -0.60634E+01 0.15228E+01 -0.25695E+02 0.46276E+00 -0.60634E+01 0.46276E+00 -0.18017E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.27691697 -0.13528238 -0.63830703 energy density (per reference volume) = 9.142318147 Kirchhoff stress -0.23026E+02 0.13974E+01 -0.61987E+01 0.13974E+01 -0.26111E+02 0.40159E+00 -0.61987E+01 0.40159E+00 -0.18245E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.26186179 -0.13850528 -0.64496529 energy density (per reference volume) = 9.158486120 Kirchhoff stress -0.22666E+02 0.11524E+01 -0.61491E+01 0.11524E+01 -0.26363E+02 0.57461E+00 -0.61491E+01 0.57461E+00 -0.18466E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.25084437 -0.14245806 -0.65478050 energy density (per reference volume) = 9.172225910 Kirchhoff stress -0.22396E+02 0.95431E+00 -0.61491E+01 0.95431E+00 -0.26690E+02 0.61554E+00 -0.61491E+01 0.61554E+00 -0.18713E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.23951167 -0.14605257 -0.66482127 energy density (per reference volume) = 9.183230137 Kirchhoff stress -0.22093E+02 0.75004E+00 -0.61338E+01 0.75004E+00 -0.26928E+02 0.63949E+00 -0.61338E+01 0.63949E+00 -0.18896E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.22792034 -0.14935261 -0.67486894 energy density (per reference volume) = 9.191702834 Kirchhoff stress -0.21766E+02 0.54528E+00 -0.61161E+01 0.54528E+00 -0.27072E+02 0.65243E+00 -0.61161E+01 0.65243E+00 -0.19015E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.21609615 -0.15240394 -0.68476695 energy density (per reference volume) = 9.197996880 Kirchhoff stress -0.21423E+02 0.34434E+00 -0.61068E+01 0.34434E+00 -0.27120E+02 0.66058E+00 -0.61068E+01 0.66058E+00 -0.19074E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.20403813 -0.15523864 -0.69441067 energy density (per reference volume) = 9.202897242 Kirchhoff stress -0.21188E+02 0.18006E+00 -0.61984E+01 0.18006E+00 -0.27081E+02 0.69193E+00 -0.61984E+01 0.69193E+00 -0.19142E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.19171570 -0.15787134 -0.70375083 energy density (per reference volume) = 9.208221723 Kirchhoff stress -0.21008E+02 0.36094E-01 -0.63487E+01 0.36094E-01 -0.26958E+02 0.73935E+00 -0.63487E+01 0.73935E+00 -0.19196E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.17908988 -0.16033520 -0.71277497 energy density (per reference volume) = 9.214330320 Kirchhoff stress -0.20788E+02 -0.11136E+00 -0.64869E+01 -0.11136E+00 -0.26751E+02 0.78754E+00 -0.64869E+01 0.78754E+00 -0.19191E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.16610848 -0.16266634 -0.72149330 energy density (per reference volume) = 9.221379125 Kirchhoff stress -0.20532E+02 -0.26056E+00 -0.66126E+01 -0.26056E+00 -0.26471E+02 0.83898E+00 -0.66126E+01 0.83898E+00 -0.19136E+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 0.53908178 1.04525144 1.06554844 -0.15270690 -0.16490201 -0.72993339 energy density (per reference volume) = 9.229497962 Kirchhoff stress -0.20245E+02 -0.40978E+00 -0.67248E+01 -0.40978E+00 -0.26128E+02 0.89544E+00 -0.67248E+01 0.89544E+00 -0.19038E+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 0.53908178 1.04525144 1.06554844 -0.13880547 -0.16708337 -0.73813349 energy density (per reference volume) = 9.238560050 Kirchhoff stress -0.19934E+02 -0.58648E+00 -0.68224E+01 -0.58648E+00 -0.25898E+02 0.95788E+00 -0.68224E+01 0.95788E+00 -0.18908E+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 0.53908178 1.04525144 1.06554844 -0.13443234 -0.17180468 -0.74615441 energy density (per reference volume) = 9.247858160 Kirchhoff stress -0.19717E+02 -0.43522E+00 -0.68967E+01 -0.43522E+00 -0.25936E+02 0.98126E+00 -0.68967E+01 0.98126E+00 -0.18736E+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 0.53908178 1.04525144 1.06554844 -0.08442288 -0.18045959 -0.79310746 energy density (per reference volume) = 9.250277189 Kirchhoff stress -0.18419E+02 -0.58861E+00 -0.58052E+01 -0.58861E+00 -0.27674E+02 0.95120E+00 -0.58052E+01 0.95120E+00 -0.19083E+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 0.53908178 1.04525144 1.06554844 -0.07557163 -0.17822741 -0.80330988 energy density (per reference volume) = 9.239240489 Kirchhoff stress -0.18786E+02 -0.70615E+00 -0.59216E+01 -0.70615E+00 -0.27940E+02 0.11486E+01 -0.59216E+01 0.11486E+01 -0.19272E+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 0.53908178 1.04525144 1.06554844 -0.04037743 -0.18278552 -0.85213430 energy density (per reference volume) = 9.226613075 Kirchhoff stress -0.18030E+02 -0.96681E+00 -0.54667E+01 -0.96681E+00 -0.28840E+02 0.14389E+01 -0.54667E+01 0.14389E+01 -0.18995E+02 *** 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 0.53908178 1.04525144 1.06554844 -0.00398992 -0.19245918 -0.88014416 energy density (per reference volume) = 9.204028276 Kirchhoff stress -0.17605E+02 -0.14852E+01 -0.53341E+01 -0.14852E+01 -0.29301E+02 0.18863E+01 -0.53341E+01 0.18863E+01 -0.19057E+02 *** 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 0.53908178 1.04525144 1.06554844 0.01050640 -0.19873204 -0.90718693 energy density (per reference volume) = 9.181965069 Kirchhoff stress -0.17356E+02 -0.18189E+01 -0.48995E+01 -0.18189E+01 -0.29697E+02 0.23828E+01 -0.48995E+01 0.23828E+01 -0.18973E+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 0.53908178 1.04525144 1.06554844 0.05281171 -0.21360945 -0.95160177 energy density (per reference volume) = 9.149710159 Kirchhoff stress -0.16650E+02 -0.27922E+01 -0.45973E+01 -0.27922E+01 -0.30835E+02 0.30420E+01 -0.45973E+01 0.30420E+01 -0.18974E+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 0.53908178 1.04525144 1.06554844 0.05229076 -0.21327897 -0.96488782 energy density (per reference volume) = 9.116598686 Kirchhoff stress -0.16849E+02 -0.25021E+01 -0.44029E+01 -0.25021E+01 -0.31151E+02 0.32016E+01 -0.44029E+01 0.32016E+01 -0.19101E+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 0.53908178 1.04525144 1.06554844 0.05046896 -0.21242447 -0.97800947 energy density (per reference volume) = 9.082765993 Kirchhoff stress -0.16993E+02 -0.21920E+01 -0.41708E+01 -0.21920E+01 -0.31344E+02 0.33491E+01 -0.41708E+01 0.33491E+01 -0.19169E+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 0.53908178 1.04525144 1.06554844 0.04716521 -0.21100135 -0.99099244 energy density (per reference volume) = 9.048347359 Kirchhoff stress -0.17088E+02 -0.18673E+01 -0.38994E+01 -0.18673E+01 -0.31399E+02 0.34829E+01 -0.38994E+01 0.34829E+01 -0.19180E+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 0.53908178 1.04525144 1.06554844 0.04225054 -0.20896850 -1.00387751 energy density (per reference volume) = 9.013568167 Kirchhoff stress -0.17141E+02 -0.15340E+01 -0.35871E+01 -0.15340E+01 -0.31302E+02 0.36013E+01 -0.35871E+01 0.36013E+01 -0.19135E+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 0.53908178 1.04525144 1.06554844 0.04474177 -0.20857882 -1.01349287 energy density (per reference volume) = 8.979295522 Kirchhoff stress -0.17395E+02 -0.13489E+01 -0.35170E+01 -0.13489E+01 -0.31208E+02 0.36215E+01 -0.35170E+01 0.36215E+01 -0.19332E+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 0.53908178 1.04525144 1.06554844 0.04950480 -0.20858297 -1.02198621 energy density (per reference volume) = 8.946961975 Kirchhoff stress -0.17667E+02 -0.11993E+01 -0.34943E+01 -0.11993E+01 -0.31009E+02 0.35993E+01 -0.34943E+01 0.35993E+01 -0.19568E+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 0.53908178 1.04525144 1.06554844 0.05466303 -0.20852325 -1.03006960 energy density (per reference volume) = 8.916923482 Kirchhoff stress -0.17903E+02 -0.10517E+01 -0.34544E+01 -0.10517E+01 -0.30664E+02 0.35521E+01 -0.34544E+01 0.35521E+01 -0.19776E+02 *** 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 0.53908178 1.04525144 1.06554844 0.06027393 -0.20842584 -1.03773290 energy density (per reference volume) = 8.889534268 Kirchhoff stress -0.18103E+02 -0.90816E+00 -0.33973E+01 -0.90816E+00 -0.30168E+02 0.34795E+01 -0.33973E+01 0.34795E+01 -0.19956E+02 *** 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 0.53908178 1.04525144 1.06554844 0.06639499 -0.20831923 -1.04496080 energy density (per reference volume) = 8.865162271 Kirchhoff stress -0.18270E+02 -0.77055E+00 -0.33228E+01 -0.77055E+00 -0.29523E+02 0.33812E+01 -0.33228E+01 0.33812E+01 -0.20108E+02 *** 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 0.53908178 1.04525144 1.06554844 0.07307991 -0.20823420 -1.05173210 energy density (per reference volume) = 8.844171587 Kirchhoff stress -0.18407E+02 -0.64076E+00 -0.32311E+01 -0.64076E+00 -0.28732E+02 0.32575E+01 -0.32311E+01 0.32575E+01 -0.20230E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08037260 -0.20820312 -1.05801951 energy density (per reference volume) = 8.826903980 Kirchhoff stress -0.18516E+02 -0.52059E+00 -0.31223E+01 -0.52059E+00 -0.27808E+02 0.31090E+01 -0.31223E+01 0.31090E+01 -0.20322E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08829826 -0.20825829 -1.06379042 energy density (per reference volume) = 8.813660684 Kirchhoff stress -0.18600E+02 -0.41178E+00 -0.29965E+01 -0.41178E+00 -0.26762E+02 0.29367E+01 -0.29965E+01 0.29367E+01 -0.20384E+02 *** 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 0.53908178 1.04525144 1.06554844 0.09685161 -0.20842895 -1.06900913 energy density (per reference volume) = 8.804685754 Kirchhoff stress -0.18664E+02 -0.31609E+00 -0.28538E+01 -0.31609E+00 -0.25615E+02 0.27422E+01 -0.28538E+01 0.27422E+01 -0.20415E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08892241 -0.20876484 -1.06543053 energy density (per reference volume) = 8.596706625 Kirchhoff stress -0.18542E+02 0.16790E+00 -0.31600E+01 0.16790E+00 -0.24157E+02 0.21030E+01 -0.31600E+01 0.21030E+01 -0.19910E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08892241 -0.20876484 -1.06543053 energy density (per reference volume) = 8.595820417 Kirchhoff stress -0.18761E+02 0.14914E+00 -0.29581E+01 0.14914E+00 -0.23624E+02 0.18970E+01 -0.29581E+01 0.18970E+01 -0.19888E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08892241 -0.20876484 -1.06543053 energy density (per reference volume) = 8.596536122 Kirchhoff stress -0.19007E+02 0.13883E+00 -0.27058E+01 0.13883E+00 -0.23108E+02 0.16463E+01 -0.27058E+01 0.16463E+01 -0.19876E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08892241 -0.20876484 -1.06543053 energy density (per reference volume) = 8.598086845 Kirchhoff stress -0.19315E+02 0.16996E+00 -0.23713E+01 0.16996E+00 -0.22641E+02 0.13208E+01 -0.23713E+01 0.13208E+01 -0.19905E+02 *** 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 0.53908178 1.04525144 1.06554844 0.08892241 -0.20876484 -1.06543053 energy density (per reference volume) = 8.600166403 Kirchhoff stress -0.19618E+02 0.17820E+00 -0.20250E+01 0.17820E+00 -0.22165E+02 0.98421E+00 -0.20250E+01 0.98421E+00 -0.19910E+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 0.53908178 1.04525144 1.06554844 0.09338959 -0.20324688 -1.06696172 energy density (per reference volume) = 8.602633143 Kirchhoff stress -0.19874E+02 0.15490E+00 -0.15709E+01 0.15490E+00 -0.21580E+02 0.53833E+00 -0.15709E+01 0.53833E+00 -0.19853E+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 0.53908178 1.04525144 1.06554844 0.09338959 -0.20324688 -1.06696172 energy density (per reference volume) = 8.605142061 Kirchhoff stress -0.20241E+02 0.20331E+00 -0.12895E+01 0.20331E+00 -0.21175E+02 0.27403E+00 -0.12895E+01 0.27403E+00 -0.19891E+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 0.53908178 1.04525144 1.06554844 0.09447800 -0.20297282 -1.06736801 energy density (per reference volume) = 8.608924674 Kirchhoff stress -0.20605E+02 0.25255E+00 -0.10257E+01 0.25255E+00 -0.20782E+02 0.26950E-01 -0.10257E+01 0.26950E-01 -0.19928E+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 0.53908178 1.04525144 1.06554844 0.15211425 -0.21738853 -1.06584595 energy density (per reference volume) = 8.612179861 Kirchhoff stress -0.19835E+02 0.27366E+00 -0.74021E+00 0.27366E+00 -0.19990E+02 -0.18034E+00 -0.74021E+00 -0.18034E+00 -0.19566E+02 *** 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 0.53908178 1.04525144 1.06554844 0.16841607 -0.22548566 -1.05493975 energy density (per reference volume) = 8.613182377 Kirchhoff stress -0.19991E+02 0.29782E+00 -0.26105E+00 0.29782E+00 -0.19462E+02 -0.47300E+00 -0.26105E+00 -0.47300E+00 -0.19468E+02 * CB-KIM calculation successfully completed