---------------------------------------------------------------------------- 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_Tersoff_PRB39_1989_CSi__MO_171585019474_001 Match failed; removing process_d2Edr2 and trying again. Moduli calculation disabled. Preconditioning disabled in lattice parameter optimization. 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 0.00000000000000000000 1.56869893678531835413 1.56869893678531835413 1.56869893678531857617 0.00000000000000000000 1.56869893678531857617 1.56869893678531857617 1.56869893678531857617 0.00000000000000000000 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 0.52562342280363405500 1.02749566488273824660 1.04974451873484286857 **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 0.52562342 1.02749566 1.04974452 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -5.428211273 Kirchhoff stress -0.48883E+01 -0.43261E+01 -0.60077E+01 -0.43261E+01 -0.36328E+01 0.34404E+01 -0.60077E+01 0.34404E+01 -0.24821E+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 0.52562342 1.02749566 1.04974452 0.00569446 -0.00611611 -0.00554341 energy density (per reference volume) = 18.57518958 Kirchhoff stress -0.22875E+02 0.14494E+02 0.12123E+02 0.14494E+02 -0.22996E+02 -0.14682E+02 0.12123E+02 -0.14682E+02 -0.19777E+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 0.52562342 1.02749566 1.04974452 0.01209952 -0.01315420 -0.01200010 energy density (per reference volume) = 18.07450552 Kirchhoff stress -0.23292E+02 0.14305E+02 0.12032E+02 0.14305E+02 -0.23044E+02 -0.14218E+02 0.12032E+02 -0.14218E+02 -0.19283E+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 0.52562342 1.02749566 1.04974452 0.02134271 -0.02361137 -0.02173244 energy density (per reference volume) = 17.44387046 Kirchhoff stress -0.23883E+02 0.14128E+02 0.11931E+02 0.14128E+02 -0.23238E+02 -0.13784E+02 0.11931E+02 -0.13784E+02 -0.19045E+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 0.52562342 1.02749566 1.04974452 0.02971618 -0.03345028 -0.03097910 energy density (per reference volume) = 16.89582416 Kirchhoff stress -0.24387E+02 0.13937E+02 0.11733E+02 0.13937E+02 -0.23461E+02 -0.13278E+02 0.11733E+02 -0.13278E+02 -0.19133E+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 0.52562342 1.02749566 1.04974452 0.03797628 -0.04421948 -0.04086157 energy density (per reference volume) = 16.37330610 Kirchhoff stress -0.24807E+02 0.13692E+02 0.11468E+02 0.13692E+02 -0.23668E+02 -0.12766E+02 0.11468E+02 -0.12766E+02 -0.19257E+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 0.52562342 1.02749566 1.04974452 0.04583070 -0.05502805 -0.05081836 energy density (per reference volume) = 15.90177111 Kirchhoff stress -0.25114E+02 0.13396E+02 0.11150E+02 0.13396E+02 -0.23870E+02 -0.12242E+02 0.11150E+02 -0.12242E+02 -0.19379E+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 0.52562342 1.02749566 1.04974452 0.05316257 -0.06574894 -0.06075977 energy density (per reference volume) = 15.48099393 Kirchhoff stress -0.25298E+02 0.13051E+02 0.10778E+02 0.13051E+02 -0.24066E+02 -0.11708E+02 0.10778E+02 -0.11708E+02 -0.19488E+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 0.52562342 1.02749566 1.04974452 0.05986665 -0.07624500 -0.07059466 energy density (per reference volume) = 15.10919249 Kirchhoff stress -0.25357E+02 0.12663E+02 0.10358E+02 0.12663E+02 -0.24259E+02 -0.11170E+02 0.10358E+02 -0.11170E+02 -0.19579E+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 0.52562342 1.02749566 1.04974452 -0.55110738 0.38333942 -1.05311323 energy density (per reference volume) = 9.303204511 Kirchhoff stress -0.25844E+02 -0.89403E+00 0.23933E+01 -0.89403E+00 -0.22319E+02 -0.23076E+01 0.23933E+01 -0.23076E+01 -0.21636E+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 0.52562342 1.02749566 1.04974452 -0.56156454 0.39702373 -1.05628576 energy density (per reference volume) = 9.299094905 Kirchhoff stress -0.27473E+02 -0.93909E+00 0.32430E+01 -0.93909E+00 -0.21520E+02 -0.31288E+01 0.32430E+01 -0.31288E+01 -0.21615E+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 0.52562342 1.02749566 1.04974452 -0.56349262 0.39354479 -1.04754916 energy density (per reference volume) = 9.299413717 Kirchhoff stress -0.28931E+02 -0.89116E+00 0.35447E+01 -0.89116E+00 -0.21447E+02 -0.33979E+01 0.35447E+01 -0.33979E+01 -0.21608E+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 0.52562342 1.02749566 1.04974452 -0.56460603 0.38987896 -1.03887181 energy density (per reference volume) = 9.304435089 Kirchhoff stress -0.30228E+02 -0.87535E+00 0.37989E+01 -0.87535E+00 -0.21333E+02 -0.36387E+01 0.37989E+01 -0.36387E+01 -0.21559E+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 0.52562342 1.02749566 1.04974452 -0.56499158 0.38605927 -1.03016382 energy density (per reference volume) = 9.313881083 Kirchhoff stress -0.31343E+02 -0.88823E+00 0.40080E+01 -0.88823E+00 -0.21176E+02 -0.38513E+01 0.40080E+01 -0.38513E+01 -0.21471E+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 0.52562342 1.02749566 1.04974452 -0.56471153 0.38210380 -1.02136392 energy density (per reference volume) = 9.327376944 Kirchhoff stress -0.32260E+02 -0.92641E+00 0.41738E+01 -0.92641E+00 -0.20976E+02 -0.40353E+01 0.41738E+01 -0.40353E+01 -0.21343E+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 0.52562342 1.02749566 1.04974452 -0.56381169 0.37802010 -1.01243034 energy density (per reference volume) = 9.344483864 Kirchhoff stress -0.32970E+02 -0.98653E+00 0.42979E+01 -0.98653E+00 -0.20730E+02 -0.41907E+01 0.42979E+01 -0.41907E+01 -0.21176E+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 0.52562342 1.02749566 1.04974452 -0.56232655 0.37380925 -1.00333475 energy density (per reference volume) = 9.364732294 Kirchhoff stress -0.33470E+02 -0.10653E+01 0.43818E+01 -0.10653E+01 -0.20438E+02 -0.43170E+01 0.43818E+01 -0.43170E+01 -0.20973E+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 0.52562342 1.02749566 1.04974452 -0.56028238 0.36946880 -0.99405831 energy density (per reference volume) = 9.387654208 Kirchhoff stress -0.33762E+02 -0.11597E+01 0.44272E+01 -0.11597E+01 -0.20098E+02 -0.44143E+01 0.44272E+01 -0.44143E+01 -0.20732E+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 0.52562342 1.02749566 1.04974452 -0.55769931 0.36499489 -0.98458930 energy density (per reference volume) = 9.412812698 Kirchhoff stress -0.33855E+02 -0.12668E+01 0.44359E+01 -0.12668E+01 -0.19708E+02 -0.44825E+01 0.44359E+01 -0.44825E+01 -0.20456E+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 0.52562342 1.02749566 1.04974452 -0.55459248 0.36038309 -0.97492122 energy density (per reference volume) = 9.439827455 Kirchhoff stress -0.33766E+02 -0.13843E+01 0.44099E+01 -0.13843E+01 -0.19267E+02 -0.45219E+01 0.44099E+01 -0.45219E+01 -0.20144E+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 0.52562342 1.02749566 1.04974452 -0.54994192 0.35639798 -0.96369954 energy density (per reference volume) = 9.468316408 Kirchhoff stress -0.33567E+02 -0.15785E+01 0.43142E+01 -0.15785E+01 -0.18901E+02 -0.46621E+01 0.43142E+01 -0.46621E+01 -0.19927E+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 0.52562342 1.02749566 1.04974452 -0.51086238 0.31273190 -0.89180939 energy density (per reference volume) = 9.489459616 Kirchhoff stress -0.32469E+02 -0.10408E+01 0.23218E+01 -0.10408E+01 -0.20622E+02 -0.57469E+01 0.23218E+01 -0.57469E+01 -0.21260E+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 0.52562342 1.02749566 1.04974452 -0.49479556 0.29971084 -0.86531923 energy density (per reference volume) = 9.506312421 Kirchhoff stress -0.31695E+02 -0.11703E+01 0.17764E+01 -0.11703E+01 -0.20661E+02 -0.63832E+01 0.17764E+01 -0.63832E+01 -0.21491E+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 0.52562342 1.02749566 1.04974452 -0.49367270 0.29695196 -0.86620739 energy density (per reference volume) = 9.520640730 Kirchhoff stress -0.31386E+02 -0.11659E+01 0.18855E+01 -0.11659E+01 -0.20276E+02 -0.63790E+01 0.18855E+01 -0.63790E+01 -0.21092E+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 0.52562342 1.02749566 1.04974452 -0.47551082 0.25097332 -0.82503473 energy density (per reference volume) = 9.525517661 Kirchhoff stress -0.30465E+02 -0.49661E+00 0.12704E+01 -0.49661E+00 -0.21037E+02 -0.70357E+01 0.12704E+01 -0.70357E+01 -0.21180E+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 0.52562342 1.02749566 1.04974452 -0.46830754 0.22125339 -0.79244544 energy density (per reference volume) = 9.527677374 Kirchhoff stress -0.29999E+02 -0.48220E+00 0.92294E+00 -0.48220E+00 -0.21347E+02 -0.75271E+01 0.92294E+00 -0.75271E+01 -0.21344E+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 0.52562342 1.02749566 1.04974452 -0.46410383 0.20093108 -0.77135345 energy density (per reference volume) = 9.528402602 Kirchhoff stress -0.29475E+02 -0.44174E+00 0.74911E+00 -0.44174E+00 -0.21157E+02 -0.77413E+01 0.74911E+00 -0.77413E+01 -0.21181E+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 0.52562342 1.02749566 1.04974452 -0.45713359 0.18497013 -0.75170981 energy density (per reference volume) = 9.527023381 Kirchhoff stress -0.29006E+02 -0.56296E+00 0.60135E+00 -0.56296E+00 -0.20864E+02 -0.79591E+01 0.60135E+00 -0.79591E+01 -0.21028E+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 0.52562342 1.02749566 1.04974452 -0.45352760 0.17344885 -0.74433953 energy density (per reference volume) = 9.527025577 Kirchhoff stress -0.28644E+02 -0.50642E+00 0.51334E+00 -0.50642E+00 -0.20527E+02 -0.77912E+01 0.51334E+00 -0.77912E+01 -0.20670E+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 0.52562342 1.02749566 1.04974452 -0.45333852 0.17320229 -0.74442867 energy density (per reference volume) = 9.527767654 Kirchhoff stress -0.28732E+02 -0.64837E+00 0.18824E+00 -0.64837E+00 -0.20501E+02 -0.75819E+01 0.18824E+00 -0.75819E+01 -0.20572E+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 0.52562342 1.02749566 1.04974452 -0.44692380 0.14632647 -0.71828565 energy density (per reference volume) = 9.513122242 Kirchhoff stress -0.27762E+02 -0.74442E+00 0.32976E+00 -0.74442E+00 -0.21132E+02 -0.78560E+01 0.32976E+00 -0.78560E+01 -0.21310E+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 0.52562342 1.02749566 1.04974452 -0.44773560 0.13548169 -0.71217490 energy density (per reference volume) = 9.505889061 Kirchhoff stress -0.28132E+02 -0.53678E+00 0.24881E+00 -0.53678E+00 -0.21468E+02 -0.76891E+01 0.24881E+00 -0.76891E+01 -0.21476E+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 0.52562342 1.02749566 1.04974452 -0.44807177 0.12464115 -0.70571368 energy density (per reference volume) = 9.500607345 Kirchhoff stress -0.28626E+02 -0.36157E+00 0.17726E+00 -0.36157E+00 -0.21781E+02 -0.75132E+01 0.17726E+00 -0.75132E+01 -0.21603E+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 0.52562342 1.02749566 1.04974452 -0.44790086 0.11373756 -0.69888059 energy density (per reference volume) = 9.497362797 Kirchhoff stress -0.29048E+02 -0.18866E+00 0.11450E+00 -0.18866E+00 -0.22064E+02 -0.73291E+01 0.11450E+00 -0.73291E+01 -0.21682E+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 0.52562342 1.02749566 1.04974452 -0.44719440 0.10271990 -0.69166741 energy density (per reference volume) = 9.495934912 Kirchhoff stress -0.29388E+02 -0.20216E-01 0.58916E-01 -0.20216E-01 -0.22311E+02 -0.71373E+01 0.58916E-01 -0.71373E+01 -0.21704E+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 0.52562342 1.02749566 1.04974452 -0.44592821 0.09154852 -0.68408217 energy density (per reference volume) = 9.496076704 Kirchhoff stress -0.29632E+02 0.14159E+00 0.81341E-02 0.14159E+00 -0.22518E+02 -0.69379E+01 0.81341E-02 -0.69379E+01 -0.21657E+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 0.52562342 1.02749566 1.04974452 -0.44408902 0.08019421 -0.67614927 energy density (per reference volume) = 9.497293327 Kirchhoff stress -0.29780E+02 0.32244E+00 -0.20812E-01 0.32244E+00 -0.22785E+02 -0.68082E+01 -0.20812E-01 -0.68082E+01 -0.21589E+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 0.52562342 1.02749566 1.04974452 -0.44170731 0.06862502 -0.66789810 energy density (per reference volume) = 9.497633174 Kirchhoff stress -0.29824E+02 0.53661E+00 -0.22190E-01 0.53661E+00 -0.23159E+02 -0.67864E+01 -0.22190E-01 -0.67864E+01 -0.21519E+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 0.52562342 1.02749566 1.04974452 -0.43878775 0.05686659 -0.65942661 energy density (per reference volume) = 9.496046315 Kirchhoff stress -0.29756E+02 0.75713E+00 -0.19623E-01 0.75713E+00 -0.23538E+02 -0.67969E+01 -0.19623E-01 -0.67969E+01 -0.21387E+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 0.52562342 1.02749566 1.04974452 -0.43532201 0.04497812 -0.65088052 energy density (per reference volume) = 9.491825456 Kirchhoff stress -0.29574E+02 0.97971E+00 -0.19567E-01 0.97971E+00 -0.23912E+02 -0.68289E+01 -0.19567E-01 -0.68289E+01 -0.21187E+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 0.52562342 1.02749566 1.04974452 -0.43128277 0.03304996 -0.64245591 energy density (per reference volume) = 9.484419704 Kirchhoff stress -0.29283E+02 0.11986E+01 -0.28701E-01 0.11986E+01 -0.24272E+02 -0.68673E+01 -0.28701E-01 -0.68673E+01 -0.20918E+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 0.52562342 1.02749566 1.04974452 -0.42686158 0.02369452 -0.63508413 energy density (per reference volume) = 9.473514268 Kirchhoff stress -0.29029E+02 0.14545E+01 -0.10392E-02 0.14545E+01 -0.24560E+02 -0.68459E+01 -0.10392E-02 -0.68459E+01 -0.20701E+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 0.52562342 1.02749566 1.04974452 -0.42162384 0.01112695 -0.62087722 energy density (per reference volume) = 9.458257920 Kirchhoff stress -0.28515E+02 0.18202E+01 0.17471E+00 0.18202E+01 -0.24685E+02 -0.69937E+01 0.17471E+00 -0.69937E+01 -0.20334E+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 0.52562342 1.02749566 1.04974452 -0.41864666 0.00038853 -0.61082710 energy density (per reference volume) = 9.438924162 Kirchhoff stress -0.28111E+02 0.21660E+01 0.19135E+00 0.21660E+01 -0.24825E+02 -0.70373E+01 0.19135E+00 -0.70373E+01 -0.19953E+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 0.52562342 1.02749566 1.04974452 -0.41550524 -0.01027768 -0.60233052 energy density (per reference volume) = 9.416002989 Kirchhoff stress -0.27658E+02 0.24642E+01 0.13508E+00 0.24642E+01 -0.24927E+02 -0.70104E+01 0.13508E+00 -0.70104E+01 -0.19508E+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 0.52562342 1.02749566 1.04974452 -0.41266173 -0.01891296 -0.59607524 energy density (per reference volume) = 9.391042621 Kirchhoff stress -0.27244E+02 0.27183E+01 0.20100E-02 0.27183E+01 -0.24929E+02 -0.68177E+01 0.20100E-02 -0.68177E+01 -0.19084E+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 0.52562342 1.02749566 1.04974452 -0.39154392 -0.03728548 -0.59070463 energy density (per reference volume) = 9.360946181 Kirchhoff stress -0.25662E+02 0.27061E+01 -0.20364E+00 0.27061E+01 -0.25293E+02 -0.62989E+01 -0.20364E+00 -0.62989E+01 -0.18650E+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 0.52562342 1.02749566 1.04974452 -0.36677091 -0.05384593 -0.60251468 energy density (per reference volume) = 9.336486053 Kirchhoff stress -0.24111E+02 0.22640E+01 -0.10131E+01 0.22640E+01 -0.26145E+02 -0.56083E+01 -0.10131E+01 -0.56083E+01 -0.18920E+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 0.52562342 1.02749566 1.04974452 -0.34770299 -0.05223817 -0.60684447 energy density (per reference volume) = 9.307926691 Kirchhoff stress -0.23658E+02 0.21767E+01 -0.13518E+01 0.21767E+01 -0.25431E+02 -0.42782E+01 -0.13518E+01 -0.42782E+01 -0.18754E+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 0.52562342 1.02749566 1.04974452 -0.33464957 -0.06110509 -0.61714787 energy density (per reference volume) = 9.290803424 Kirchhoff stress -0.24126E+02 0.21815E+01 -0.18407E+01 0.21815E+01 -0.25731E+02 -0.36825E+01 -0.18407E+01 -0.36825E+01 -0.19019E+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 0.52562342 1.02749566 1.04974452 -0.33308813 -0.06216478 -0.61850081 energy density (per reference volume) = 9.282156501 Kirchhoff stress -0.24849E+02 0.21453E+01 -0.27420E+01 0.21453E+01 -0.24926E+02 -0.27514E+01 -0.27420E+01 -0.27514E+01 -0.18862E+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 0.52562342 1.02749566 1.04974452 -0.32907190 -0.06784802 -0.62170490 energy density (per reference volume) = 9.288461352 Kirchhoff stress -0.25544E+02 0.20265E+01 -0.37033E+01 0.20265E+01 -0.24474E+02 -0.19960E+01 -0.37033E+01 -0.19960E+01 -0.19023E+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 0.52562342 1.02749566 1.04974452 -0.32203996 -0.07542414 -0.62559860 energy density (per reference volume) = 9.307790499 Kirchhoff stress -0.25976E+02 0.18014E+01 -0.44963E+01 0.18014E+01 -0.24132E+02 -0.13432E+01 -0.44963E+01 -0.13432E+01 -0.19218E+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 0.52562342 1.02749566 1.04974452 -0.31356203 -0.08701458 -0.63036169 energy density (per reference volume) = 9.337486453 Kirchhoff stress -0.26205E+02 0.17033E+01 -0.51553E+01 0.17033E+01 -0.24842E+02 -0.81689E+00 -0.51553E+01 -0.81689E+00 -0.19449E+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 0.52562342 1.02749566 1.04974452 -0.30595800 -0.10422913 -0.62375649 energy density (per reference volume) = 9.365927168 Kirchhoff stress -0.25914E+02 0.18785E+01 -0.58766E+01 0.18785E+01 -0.25801E+02 -0.26768E+00 -0.58766E+01 -0.26768E+00 -0.19412E+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 0.52562342 1.02749566 1.04974452 -0.30029810 -0.11876094 -0.62001750 energy density (per reference volume) = 9.392919108 Kirchhoff stress -0.25754E+02 0.21401E+01 -0.64409E+01 0.21401E+01 -0.27081E+02 -0.18550E+00 -0.64409E+01 -0.18550E+00 -0.19716E+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 0.52562342 1.02749566 1.04974452 -0.29435292 -0.12534243 -0.62534747 energy density (per reference volume) = 9.418947588 Kirchhoff stress -0.25740E+02 0.20456E+01 -0.67290E+01 0.20456E+01 -0.27872E+02 -0.17696E+00 -0.67290E+01 -0.17696E+00 -0.20089E+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 0.52562342 1.02749566 1.04974452 -0.28812648 -0.13169759 -0.63038568 energy density (per reference volume) = 9.441515114 Kirchhoff stress -0.25586E+02 0.19145E+01 -0.69242E+01 0.19145E+01 -0.28497E+02 -0.20656E+00 -0.69242E+01 -0.20656E+00 -0.20385E+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 0.52562342 1.02749566 1.04974452 -0.28148206 -0.14045338 -0.62929386 energy density (per reference volume) = 9.459170221 Kirchhoff stress -0.25171E+02 0.18382E+01 -0.71576E+01 0.18382E+01 -0.28847E+02 -0.19991E+00 -0.71576E+01 -0.19991E+00 -0.20547E+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 0.52562342 1.02749566 1.04974452 -0.26682683 -0.14326388 -0.64183336 energy density (per reference volume) = 9.474811174 Kirchhoff stress -0.24827E+02 0.14952E+01 -0.68742E+01 0.14952E+01 -0.29334E+02 -0.28877E+00 -0.68742E+01 -0.28877E+00 -0.20843E+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 0.52562342 1.02749566 1.04974452 -0.25892862 -0.15075168 -0.64248361 energy density (per reference volume) = 9.485945260 Kirchhoff stress -0.24325E+02 0.13208E+01 -0.69664E+01 0.13208E+01 -0.29373E+02 -0.35165E+00 -0.69664E+01 -0.35165E+00 -0.20985E+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 0.52562342 1.02749566 1.04974452 -0.24102893 -0.14931491 -0.65088051 energy density (per reference volume) = 9.491825456 Kirchhoff stress -0.23912E+02 0.97971E+00 -0.68289E+01 0.97971E+00 -0.29574E+02 -0.19566E-01 -0.68289E+01 -0.19566E-01 -0.21187E+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 0.52562342 1.02749566 1.04974452 -0.22920218 -0.15271898 -0.65942662 energy density (per reference volume) = 9.496046315 Kirchhoff stress -0.23538E+02 0.75713E+00 -0.67969E+01 0.75713E+00 -0.29756E+02 -0.19623E-01 -0.67969E+01 -0.19623E-01 -0.21387E+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 0.52562342 1.02749566 1.04974452 -0.21726006 -0.15582223 -0.66789810 energy density (per reference volume) = 9.497633174 Kirchhoff stress -0.23159E+02 0.53661E+00 -0.67864E+01 0.53661E+00 -0.29824E+02 -0.22190E-01 -0.67864E+01 -0.22190E-01 -0.21519E+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 0.52562342 1.02749566 1.04974452 -0.20522273 -0.15867208 -0.67614927 energy density (per reference volume) = 9.497293327 Kirchhoff stress -0.22785E+02 0.32244E+00 -0.68082E+01 0.32244E+00 -0.29780E+02 -0.20812E-01 -0.68082E+01 -0.20812E-01 -0.21589E+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 0.52562342 1.02749566 1.04974452 -0.19307730 -0.16130239 -0.68408217 energy density (per reference volume) = 9.496076704 Kirchhoff stress -0.22518E+02 0.14159E+00 -0.69379E+01 0.14159E+00 -0.29632E+02 0.81338E-02 -0.69379E+01 0.81338E-02 -0.21657E+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 0.52562342 1.02749566 1.04974452 -0.18074594 -0.16372855 -0.69166741 energy density (per reference volume) = 9.495934912 Kirchhoff stress -0.22311E+02 -0.20216E-01 -0.71373E+01 -0.20216E-01 -0.29388E+02 0.58916E-01 -0.71373E+01 0.58916E-01 -0.21704E+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 0.52562342 1.02749566 1.04974452 -0.16817928 -0.16598403 -0.69888059 energy density (per reference volume) = 9.497362797 Kirchhoff stress -0.22064E+02 -0.18866E+00 -0.73291E+01 -0.18866E+00 -0.29048E+02 0.11450E+00 -0.73291E+01 0.11450E+00 -0.21682E+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 0.52562342 1.02749566 1.04974452 -0.15532590 -0.16810472 -0.70571368 energy density (per reference volume) = 9.500607345 Kirchhoff stress -0.21781E+02 -0.36157E+00 -0.75132E+01 -0.36157E+00 -0.28626E+02 0.17726E+00 -0.75132E+01 0.17726E+00 -0.21603E+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 0.52562342 1.02749566 1.04974452 -0.14212759 -0.17012632 -0.71217487 energy density (per reference volume) = 9.505889061 Kirchhoff stress -0.21468E+02 -0.53678E+00 -0.76891E+01 -0.53678E+00 -0.28132E+02 0.24881E+00 -0.76891E+01 0.24881E+00 -0.21476E+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 0.52562342 1.02749566 1.04974452 -0.12850990 -0.17208743 -0.71828564 energy density (per reference volume) = 9.513122242 Kirchhoff stress -0.21132E+02 -0.74443E+00 -0.78560E+01 -0.74443E+00 -0.27762E+02 0.32976E+00 -0.78560E+01 0.32976E+00 -0.21310E+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 0.52562342 1.02749566 1.04974452 -0.12142237 -0.17622813 -0.72884916 energy density (per reference volume) = 9.521177324 Kirchhoff stress -0.20837E+02 -0.53599E+00 -0.79245E+01 -0.53599E+00 -0.27952E+02 0.33223E+00 -0.79245E+01 0.33223E+00 -0.20872E+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 0.52562342 1.02749566 1.04974452 -0.11487868 -0.18002905 -0.73599109 energy density (per reference volume) = 9.527124048 Kirchhoff stress -0.20569E+02 -0.28236E+00 -0.80017E+01 -0.28236E+00 -0.28142E+02 0.46887E+00 -0.80017E+01 0.46887E+00 -0.20543E+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 0.52562342 1.02749566 1.04974452 -0.08601896 -0.18352751 -0.75892982 energy density (per reference volume) = 9.527422357 Kirchhoff stress -0.20694E+02 -0.48472E+00 -0.77035E+01 -0.48472E+00 -0.29244E+02 0.46689E+00 -0.77035E+01 0.46689E+00 -0.21084E+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 0.52562342 1.02749566 1.04974452 -0.07444345 -0.18560570 -0.77463976 energy density (per reference volume) = 9.527995960 Kirchhoff stress -0.21027E+02 -0.45650E+00 -0.76511E+01 -0.45650E+00 -0.29642E+02 0.63291E+00 -0.76511E+01 0.63291E+00 -0.21287E+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 0.52562342 1.02749566 1.04974452 -0.05601318 -0.18739767 -0.79998544 energy density (per reference volume) = 9.528021004 Kirchhoff stress -0.21066E+02 -0.43909E+00 -0.73322E+01 -0.43909E+00 -0.30143E+02 0.88531E+00 -0.73322E+01 0.88531E+00 -0.21322E+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 0.52562342 1.02749566 1.04974452 -0.03660600 -0.18817019 -0.82357628 energy density (per reference volume) = 9.525039323 Kirchhoff stress -0.20985E+02 -0.50417E+00 -0.70861E+01 -0.50417E+00 -0.30461E+02 0.12303E+01 -0.70861E+01 0.12303E+01 -0.21252E+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 0.52562342 1.02749566 1.04974452 -0.01154489 -0.19248362 -0.85351159 energy density (per reference volume) = 9.518740595 Kirchhoff stress -0.20519E+02 -0.73902E+00 -0.66940E+01 -0.73902E+00 -0.30929E+02 0.16408E+01 -0.66940E+01 0.16408E+01 -0.21065E+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 0.52562342 1.02749566 1.04974452 -0.00077986 -0.19965867 -0.87287863 energy density (per reference volume) = 9.506775589 Kirchhoff stress -0.20408E+02 -0.10810E+01 -0.61626E+01 -0.10810E+01 -0.31738E+02 0.18727E+01 -0.61626E+01 0.18727E+01 -0.21197E+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 0.52562342 1.02749566 1.04974452 0.00236707 -0.20049755 -0.89180940 energy density (per reference volume) = 9.489459616 Kirchhoff stress -0.20622E+02 -0.10408E+01 -0.57469E+01 -0.10408E+01 -0.32469E+02 0.23218E+01 -0.57469E+01 0.23218E+01 -0.21260E+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 0.52562342 1.02749566 1.04974452 -0.00008137 -0.20121785 -0.92961870 energy density (per reference volume) = 9.467995049 Kirchhoff stress -0.20060E+02 -0.10017E+01 -0.48985E+01 -0.10017E+01 -0.33110E+02 0.32353E+01 -0.48985E+01 0.32353E+01 -0.20606E+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 0.52562342 1.02749566 1.04974452 0.01042288 -0.20463229 -0.97492122 energy density (per reference volume) = 9.439827455 Kirchhoff stress -0.19267E+02 -0.13843E+01 -0.45219E+01 -0.13843E+01 -0.33766E+02 0.44099E+01 -0.45219E+01 0.44099E+01 -0.20144E+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 0.52562342 1.02749566 1.04974452 0.01095312 -0.20365755 -0.98458928 energy density (per reference volume) = 9.412812698 Kirchhoff stress -0.19708E+02 -0.12668E+01 -0.44825E+01 -0.12668E+01 -0.33855E+02 0.44359E+01 -0.44825E+01 0.44359E+01 -0.20456E+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 0.52562342 1.02749566 1.04974452 0.01163798 -0.20245155 -0.99405833 energy density (per reference volume) = 9.387654208 Kirchhoff stress -0.20098E+02 -0.11597E+01 -0.44143E+01 -0.11597E+01 -0.33762E+02 0.44272E+01 -0.44143E+01 0.44272E+01 -0.20732E+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 0.52562342 1.02749566 1.04974452 0.01248826 -0.20100561 -1.00333476 energy density (per reference volume) = 9.364732294 Kirchhoff stress -0.20438E+02 -0.10653E+01 -0.43170E+01 -0.10653E+01 -0.33470E+02 0.43818E+01 -0.43170E+01 0.43818E+01 -0.20973E+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 0.52562342 1.02749566 1.04974452 0.01351425 -0.19930583 -1.01243034 energy density (per reference volume) = 9.344483864 Kirchhoff stress -0.20730E+02 -0.98653E+00 -0.41907E+01 -0.98653E+00 -0.32970E+02 0.42979E+01 -0.41907E+01 0.42979E+01 -0.21176E+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 0.52562342 1.02749566 1.04974452 0.01472308 -0.19733081 -1.02136392 energy density (per reference volume) = 9.327376944 Kirchhoff stress -0.20976E+02 -0.92641E+00 -0.40353E+01 -0.92641E+00 -0.32260E+02 0.41738E+01 -0.40353E+01 0.41738E+01 -0.21343E+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 0.52562342 1.02749566 1.04974452 0.01611631 -0.19504862 -1.03016382 energy density (per reference volume) = 9.313881083 Kirchhoff stress -0.21176E+02 -0.88823E+00 -0.38513E+01 -0.88823E+00 -0.31343E+02 0.40080E+01 -0.38513E+01 0.40080E+01 -0.21471E+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 0.52562342 1.02749566 1.04974452 0.01768461 -0.19241169 -1.03887182 energy density (per reference volume) = 9.304435089 Kirchhoff stress -0.21333E+02 -0.87535E+00 -0.36387E+01 -0.87535E+00 -0.30228E+02 0.37989E+01 -0.36387E+01 0.37989E+01 -0.21559E+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 0.52562342 1.02749566 1.04974452 0.01940141 -0.18934922 -1.04754918 energy density (per reference volume) = 9.299413717 Kirchhoff stress -0.21447E+02 -0.89116E+00 -0.33979E+01 -0.89116E+00 -0.28931E+02 0.35447E+01 -0.33979E+01 0.35447E+01 -0.21608E+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 0.52562342 1.02749566 1.04974452 0.02121567 -0.18575640 -1.05628574 energy density (per reference volume) = 9.299094905 Kirchhoff stress -0.21520E+02 -0.93909E+00 -0.31288E+01 -0.93909E+00 -0.27473E+02 0.32430E+01 -0.31288E+01 0.32430E+01 -0.21615E+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 0.52562342 1.02749566 1.04974452 0.00750393 -0.17527189 -1.05311322 energy density (per reference volume) = 9.303204511 Kirchhoff stress -0.22319E+02 -0.89403E+00 -0.23076E+01 -0.89403E+00 -0.25844E+02 0.23933E+01 -0.23076E+01 0.23933E+01 -0.21636E+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 0.52562342 1.02749566 1.04974452 -0.01674886 -0.17008329 -1.03173209 energy density (per reference volume) = 8.929413215 Kirchhoff stress -0.23079E+02 0.28902E+00 -0.24331E+01 0.28902E+00 -0.24490E+02 0.65344E+00 -0.24331E+01 0.65344E+00 -0.20894E+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 0.52562342 1.02749566 1.04974452 -0.01674886 -0.17008329 -1.03173209 energy density (per reference volume) = 8.938829118 Kirchhoff stress -0.23568E+02 0.46788E+00 -0.22775E+01 0.46788E+00 -0.24207E+02 0.46614E+00 -0.22775E+01 0.46614E+00 -0.21109E+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 0.52562342 1.02749566 1.04974452 -0.01674886 -0.17008329 -1.03173209 energy density (per reference volume) = 8.950413453 Kirchhoff stress -0.24041E+02 0.62665E+00 -0.21151E+01 0.62665E+00 -0.23915E+02 0.28320E+00 -0.21151E+01 0.28320E+00 -0.21301E+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 0.52562342 1.02749566 1.04974452 -0.01674886 -0.17008329 -1.03173209 energy density (per reference volume) = 8.964025105 Kirchhoff stress -0.24488E+02 0.75271E+00 -0.19368E+01 0.75271E+00 -0.23601E+02 0.92229E-01 -0.19368E+01 0.92229E-01 -0.21458E+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 0.52562342 1.02749566 1.04974452 -0.01674886 -0.17008329 -1.03173209 energy density (per reference volume) = 8.979530603 Kirchhoff stress -0.24911E+02 0.84521E+00 -0.17442E+01 0.84521E+00 -0.23266E+02 -0.10643E+00 -0.17442E+01 -0.10643E+00 -0.21580E+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 0.52562342 1.02749566 1.04974452 0.00056554 -0.17184097 -1.04579297 energy density (per reference volume) = 8.996735946 Kirchhoff stress -0.24634E+02 0.70723E+00 -0.15259E+01 0.70723E+00 -0.23004E+02 -0.13048E+00 -0.15259E+01 -0.13048E+00 -0.21705E+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 0.52562342 1.02749566 1.04974452 0.00653441 -0.17241747 -1.04764148 energy density (per reference volume) = 9.012507283 Kirchhoff stress -0.24864E+02 0.71787E+00 -0.12835E+01 0.71787E+00 -0.22649E+02 -0.34206E+00 -0.12835E+01 -0.34206E+00 -0.21781E+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 0.52562342 1.02749566 1.04974452 0.06353752 -0.19190259 -1.04724652 energy density (per reference volume) = 9.026863097 Kirchhoff stress -0.23635E+02 0.50714E+00 -0.10346E+01 0.50714E+00 -0.22141E+02 -0.49223E+00 -0.10346E+01 -0.49223E+00 -0.21671E+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 0.52562342 1.02749566 1.04974452 0.08159582 -0.19998424 -1.04121592 energy density (per reference volume) = 9.036502999 Kirchhoff stress -0.23557E+02 0.45053E+00 -0.61242E+00 0.45053E+00 -0.21611E+02 -0.81902E+00 -0.61242E+00 -0.81902E+00 -0.21563E+02 * CB-KIM calculation successfully completed