---------------------------------------------------------------------------- c a u c h y - b o r n c o n s t i t u t i v e m o d e l This program computes the finite deformation constitutive response of an arbitrary multilattice single crystal. The code is based on the local quasicontinuum (QC) method (http://qcmethod.org). The program uses interatomic potentials compatible with the Knowledgebase of Interatomic Models (KIM) project (https://openkim.org). Copyright (C) 2015 E. B. Tadmor ---------------------------------------------------------------------------- Test calculation: Lattice invariance shear of cubic crystal **setting factor** * Default globaltol set to 0.10000E-15 CG global tolerance = 0.10000E-15 **reading material data** Material name 'Si(diamond)' material information Bravais lattice vectors: a1 = 0.00000 1.50000 1.50000 a2 = 1.50000 0.00000 1.50000 a3 = 1.50000 1.50000 0.00000 Basis atoms: Number of basis atoms = 2 spec mass reference shift vector 14 1.00 0.00000 0.00000 0.00000 14 1.00 0.75000 0.75000 0.75000 **reading constitutive information** * Error: at line 169 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion * Error: at line 208 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion KIM Model name: Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_000 Match failed; removing process_d2Edr2 and trying again. Moduli calculation disabled. Preconditioning disabled in lattice parameter optimization. Match failed; removing process_dEdr and trying again. Maximum cut-off distance: 3.0500000000 **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 2.71469585717594474872 2.71469585717594474872 2.71469585717594608099 0.00000000000000000000 2.71469585717594608099 2.71469585717594608099 2.71469585717594608099 0.00000000000000000000 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 1.35734792858797237436 1.35734792858797304049 1.35734792858797304049 **deform crystal** Method: relax shifts Mode: multiple steps, nsteps = 100 Deformation gradient 0.50000000 -0.50000000 -0.50000000 0.50000000 1.50000000 0.50000000 0.00000000 0.00000000 1.00000000 *** step number: 0 *** Deformation gradient in current step 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -0.2311462995 Kirchhoff stress -0.11514E-14 0.27389E-15 0.36382E-15 0.27389E-15 -0.85432E-15 0.40113E-15 0.36382E-15 0.40113E-15 -0.92432E-15 *** step number: 1 *** Deformation gradient in current step 0.99500000 -0.00500000 -0.00500000 0.00500000 1.00500000 0.00500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.00357196 0.00348179 -0.00009232 energy density (per reference volume) = -0.2311187387 Kirchhoff stress -0.32444E-02 -0.26070E-04 -0.22394E-02 -0.26070E-04 0.33071E-02 0.22279E-02 -0.22394E-02 0.22279E-02 -0.37271E-04 *** step number: 2 *** Deformation gradient in current step 0.99000000 -0.01000000 -0.01000000 0.01000000 1.01000000 0.01000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.00725488 0.00689372 -0.00036918 energy density (per reference volume) = -0.2310362217 Kirchhoff stress -0.64072E-02 -0.10386E-03 -0.44759E-02 -0.10386E-03 0.66579E-02 0.44306E-02 -0.44759E-02 0.44306E-02 -0.14817E-03 *** step number: 3 *** Deformation gradient in current step 0.98500000 -0.01500000 -0.01500000 0.01500000 1.01500000 0.01500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.01106987 0.01025552 -0.00083031 energy density (per reference volume) = -0.2308992417 Kirchhoff stress -0.94692E-02 -0.23213E-03 -0.66950E-02 -0.23213E-03 0.10034E-01 0.65951E-02 -0.66950E-02 0.65951E-02 -0.32995E-03 *** step number: 4 *** Deformation gradient in current step 0.98000000 -0.02000000 -0.02000000 0.02000000 1.02000000 0.02000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.01503824 0.01358619 -0.00147529 energy density (per reference volume) = -0.2307086138 Kirchhoff stress -0.12412E-01 -0.40882E-03 -0.88818E-02 -0.40882E-03 0.13417E-01 0.87093E-02 -0.88818E-02 0.87093E-02 -0.57809E-03 *** step number: 5 *** Deformation gradient in current step 0.97500000 -0.02500000 -0.02500000 0.02500000 1.02500000 0.02500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.01918135 0.01690386 -0.00230352 energy density (per reference volume) = -0.2304654649 Kirchhoff stress -0.15218E-01 -0.63107E-03 -0.11022E-01 -0.63107E-03 0.16790E-01 0.10762E-01 -0.11022E-01 0.10762E-01 -0.88640E-03 *** step number: 6 *** Deformation gradient in current step 0.97000000 -0.03000000 -0.03000000 0.03000000 1.03000000 0.03000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.02352048 0.02022571 -0.00331430 energy density (per reference volume) = -0.2301712188 Kirchhoff stress -0.17869E-01 -0.89528E-03 -0.13100E-01 -0.89528E-03 0.20138E-01 0.12744E-01 -0.13100E-01 0.12744E-01 -0.12471E-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 1.35734793 1.35734793 1.35734793 -0.02807660 0.02356781 -0.00450679 energy density (per reference volume) = -0.2298275777 Kirchhoff stress -0.20349E-01 -0.11972E-02 -0.15102E-01 -0.11972E-02 0.23445E-01 0.14645E-01 -0.15102E-01 0.14645E-01 -0.16509E-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 1.35734793 1.35734793 1.35734793 -0.03287026 0.02694497 -0.00588006 energy density (per reference volume) = -0.2294364998 Kirchhoff stress -0.22644E-01 -0.15318E-02 -0.17016E-01 -0.15318E-02 0.26698E-01 0.16460E-01 -0.17016E-01 0.16460E-01 -0.20873E-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 1.35734793 1.35734793 1.35734793 -0.03792139 0.03037066 -0.00743313 energy density (per reference volume) = -0.2290001729 Kirchhoff stress -0.24740E-01 -0.18936E-02 -0.18827E-01 -0.18936E-02 0.29885E-01 0.18182E-01 -0.18827E-01 0.18182E-01 -0.25449E-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 1.35734793 1.35734793 1.35734793 -0.04324903 0.03385689 -0.00916495 energy density (per reference volume) = -0.2285209843 Kirchhoff stress -0.26626E-01 -0.22768E-02 -0.20526E-01 -0.22768E-02 0.32997E-01 0.19807E-01 -0.20526E-01 0.19807E-01 -0.30111E-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 1.35734793 1.35734793 1.35734793 -0.04887122 0.03741410 -0.01107443 energy density (per reference volume) = -0.2280014873 Kirchhoff stress -0.28293E-01 -0.26749E-02 -0.22103E-01 -0.26749E-02 0.36025E-01 0.21332E-01 -0.22103E-01 0.21332E-01 -0.34730E-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 1.35734793 1.35734793 1.35734793 -0.05480466 0.04105100 -0.01316043 energy density (per reference volume) = -0.2274443650 Kirchhoff stress -0.29733E-01 -0.30814E-02 -0.23548E-01 -0.30814E-02 0.38965E-01 0.22758E-01 -0.23548E-01 0.22758E-01 -0.39174E-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 1.35734793 1.35734793 1.35734793 -0.06106454 0.04477468 -0.01542174 energy density (per reference volume) = -0.2268523916 Kirchhoff stress -0.30941E-01 -0.34897E-02 -0.24855E-01 -0.34897E-02 0.41812E-01 0.24084E-01 -0.24855E-01 0.24084E-01 -0.43309E-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 1.35734793 1.35734793 1.35734793 -0.06766429 0.04859040 -0.01785707 energy density (per reference volume) = -0.2262283913 Kirchhoff stress -0.31914E-01 -0.38930E-02 -0.26021E-01 -0.38930E-02 0.44566E-01 0.25313E-01 -0.26021E-01 0.25313E-01 -0.47006E-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 1.35734793 1.35734793 1.35734793 -0.07461532 0.05250172 -0.02046500 energy density (per reference volume) = -0.2255751971 Kirchhoff stress -0.32653E-01 -0.42851E-02 -0.27041E-01 -0.42851E-02 0.47227E-01 0.26450E-01 -0.27041E-01 0.26450E-01 -0.50139E-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 1.35734793 1.35734793 1.35734793 -0.08192680 0.05651046 -0.02324388 energy density (per reference volume) = -0.2248956081 Kirchhoff stress -0.33160E-01 -0.46598E-02 -0.27916E-01 -0.46598E-02 0.49799E-01 0.27499E-01 -0.27916E-01 0.27499E-01 -0.52593E-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 1.35734793 1.35734793 1.35734793 -0.08960547 0.06061688 -0.02619183 energy density (per reference volume) = -0.2241923489 Kirchhoff stress -0.33439E-01 -0.50114E-02 -0.28647E-01 -0.50114E-02 0.52288E-01 0.28468E-01 -0.28647E-01 0.28468E-01 -0.54261E-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 1.35734793 1.35734793 1.35734793 -0.09765544 0.06481971 -0.02930658 energy density (per reference volume) = -0.2234680296 Kirchhoff stress -0.33499E-01 -0.53351E-02 -0.29239E-01 -0.53351E-02 0.54700E-01 0.29365E-01 -0.29239E-01 0.29365E-01 -0.55054E-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 1.35734793 1.35734793 1.35734793 -0.10607798 0.06911644 -0.03258538 energy density (per reference volume) = -0.2227251091 Kirchhoff stress -0.33348E-01 -0.56268E-02 -0.29696E-01 -0.56268E-02 0.57046E-01 0.30199E-01 -0.29696E-01 0.30199E-01 -0.54892E-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 1.35734793 1.35734793 1.35734793 -0.11487148 0.07350345 -0.03602496 energy density (per reference volume) = -0.2219658617 Kirchhoff stress -0.32999E-01 -0.58830E-02 -0.30027E-01 -0.58830E-02 0.59335E-01 0.30980E-01 -0.30027E-01 0.30980E-01 -0.53717E-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 1.35734793 1.35734793 1.35734793 -0.12403135 0.07797630 -0.03962128 energy density (per reference volume) = -0.2211923489 Kirchhoff stress -0.32464E-01 -0.61016E-02 -0.30240E-01 -0.61016E-02 0.61581E-01 0.31718E-01 -0.30240E-01 0.31718E-01 -0.51484E-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 1.35734793 1.35734793 1.35734793 -0.13354997 0.08252998 -0.04336962 energy density (per reference volume) = -0.2204063960 Kirchhoff stress -0.31759E-01 -0.62813E-02 -0.30347E-01 -0.62813E-02 0.63795E-01 0.32425E-01 -0.30347E-01 0.32425E-01 -0.48171E-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 1.35734793 1.35734793 1.35734793 -0.14341671 0.08715924 -0.04726432 energy density (per reference volume) = -0.2196095752 Kirchhoff stress -0.30899E-01 -0.64220E-02 -0.30359E-01 -0.64220E-02 0.65990E-01 0.33111E-01 -0.30359E-01 0.33111E-01 -0.43770E-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 1.35734793 1.35734793 1.35734793 -0.15361810 0.09185877 -0.05129880 energy density (per reference volume) = -0.2188031946 Kirchhoff stress -0.29902E-01 -0.65245E-02 -0.30289E-01 -0.65245E-02 0.68180E-01 0.33787E-01 -0.30289E-01 0.33787E-01 -0.38291E-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 1.35734793 1.35734793 1.35734793 -0.16413787 0.09662353 -0.05546545 energy density (per reference volume) = -0.2179882942 Kirchhoff stress -0.28785E-01 -0.65908E-02 -0.30149E-01 -0.65908E-02 0.70378E-01 0.34464E-01 -0.30149E-01 0.34464E-01 -0.31765E-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 1.35734793 1.35734793 1.35734793 -0.17495718 0.10144902 -0.05975565 energy density (per reference volume) = -0.2171656478 Kirchhoff stress -0.27567E-01 -0.66239E-02 -0.29954E-01 -0.66239E-02 0.72594E-01 0.35150E-01 -0.29954E-01 0.35150E-01 -0.24232E-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 1.35734793 1.35734793 1.35734793 -0.18605483 0.10633139 -0.06415969 energy density (per reference volume) = -0.2163357716 Kirchhoff stress -0.26264E-01 -0.66277E-02 -0.29716E-01 -0.66277E-02 0.74840E-01 0.35856E-01 -0.29716E-01 0.35856E-01 -0.15753E-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 1.35734793 1.35734793 1.35734793 -0.19740755 0.11126776 -0.06866688 energy density (per reference volume) = -0.2154989383 Kirchhoff stress -0.24894E-01 -0.66066E-02 -0.29448E-01 -0.66066E-02 0.77125E-01 0.36588E-01 -0.29448E-01 0.36588E-01 -0.63957E-03 *** step number: 29 *** Deformation gradient in current step 0.85500000 -0.14500000 -0.14500000 0.14500000 1.14500000 0.14500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.20899030 0.11625628 -0.07326549 energy density (per reference volume) = -0.2146551960 Kirchhoff stress -0.23475E-01 -0.65661E-02 -0.29163E-01 -0.65661E-02 0.79455E-01 0.37353E-01 -0.29163E-01 0.37353E-01 0.37575E-03 *** step number: 30 *** Deformation gradient in current step 0.85000000 -0.15000000 -0.15000000 0.15000000 1.15000000 0.15000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.22077654 0.12129629 -0.07794285 energy density (per reference volume) = -0.2138043917 Kirchhoff stress -0.22022E-01 -0.65119E-02 -0.28872E-01 -0.65119E-02 0.81836E-01 0.38156E-01 -0.28872E-01 0.38156E-01 0.14617E-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 1.35734793 1.35734793 1.35734793 -0.23273863 0.12638841 -0.08268540 energy density (per reference volume) = -0.2129461980 Kirchhoff stress -0.20549E-01 -0.64501E-02 -0.28585E-01 -0.64501E-02 0.84271E-01 0.39002E-01 -0.28585E-01 0.39002E-01 0.26086E-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 1.35734793 1.35734793 1.35734793 -0.24484809 0.13153462 -0.08747879 energy density (per reference volume) = -0.2120801429 Kirchhoff stress -0.19072E-01 -0.63872E-02 -0.28311E-01 -0.63872E-02 0.86761E-01 0.39891E-01 -0.28311E-01 0.39891E-01 0.38063E-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 1.35734793 1.35734793 1.35734793 -0.25707593 0.13673830 -0.09230788 energy density (per reference volume) = -0.2112056405 Kirchhoff stress -0.17602E-01 -0.63295E-02 -0.28059E-01 -0.63295E-02 0.89303E-01 0.40825E-01 -0.28059E-01 0.40825E-01 0.50443E-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 1.35734793 1.35734793 1.35734793 -0.26939308 0.14200427 -0.09715691 energy density (per reference volume) = -0.2103220233 Kirchhoff stress -0.16152E-01 -0.62833E-02 -0.27835E-01 -0.62833E-02 0.91893E-01 0.41803E-01 -0.27835E-01 0.41803E-01 0.63119E-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 1.35734793 1.35734793 1.35734793 -0.28177030 0.14733881 -0.10200940 energy density (per reference volume) = -0.2094285741 Kirchhoff stress -0.14729E-01 -0.62549E-02 -0.27644E-01 -0.62549E-02 0.94526E-01 0.42822E-01 -0.27644E-01 0.42822E-01 0.75984E-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 1.35734793 1.35734793 1.35734793 -0.29417891 0.15274965 -0.10684835 energy density (per reference volume) = -0.2085245579 Kirchhoff stress -0.13345E-01 -0.62501E-02 -0.27491E-01 -0.62501E-02 0.97192E-01 0.43880E-01 -0.27491E-01 0.43880E-01 0.88936E-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 1.35734793 1.35734793 1.35734793 -0.30659058 0.15824600 -0.11165614 energy density (per reference volume) = -0.2076092519 Kirchhoff stress -0.12005E-01 -0.62743E-02 -0.27379E-01 -0.62743E-02 0.99881E-01 0.44971E-01 -0.27379E-01 0.44971E-01 0.10187E-01 *** step number: 38 *** Deformation gradient in current step 0.81000000 -0.19000000 -0.19000000 0.19000000 1.19000000 0.19000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.31897767 0.16383850 -0.11641454 energy density (per reference volume) = -0.2066819752 Kirchhoff stress -0.10716E-01 -0.63324E-02 -0.27309E-01 -0.63324E-02 0.10258E+00 0.46090E-01 -0.27309E-01 0.46090E-01 0.11469E-01 *** step number: 39 *** Deformation gradient in current step 0.80500000 -0.19500000 -0.19500000 0.19500000 1.19500000 0.19500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.33131321 0.16953923 -0.12110468 energy density (per reference volume) = -0.2057421150 Kirchhoff stress -0.94820E-02 -0.64288E-02 -0.27281E-01 -0.64288E-02 0.10527E+00 0.47230E-01 -0.27281E-01 0.47230E-01 0.12730E-01 *** step number: 40 *** Deformation gradient in current step 0.80000000 -0.20000000 -0.20000000 0.20000000 1.20000000 0.20000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.34357108 0.17536167 -0.12570699 energy density (per reference volume) = -0.2047891520 Kirchhoff stress -0.83078E-02 -0.65673E-02 -0.27294E-01 -0.65673E-02 0.10795E+00 0.48382E-01 -0.27294E-01 0.48382E-01 0.13962E-01 *** step number: 41 *** Deformation gradient in current step 0.79500000 -0.20500000 -0.20500000 0.20500000 1.20500000 0.20500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.35572592 0.18132061 -0.13020112 energy density (per reference volume) = -0.2038226832 Kirchhoff stress -0.71958E-02 -0.67510E-02 -0.27347E-01 -0.67510E-02 0.11058E+00 0.49540E-01 -0.27347E-01 0.49540E-01 0.15156E-01 *** step number: 42 *** Deformation gradient in current step 0.79000000 -0.21000000 -0.21000000 0.21000000 1.21000000 0.21000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.36775313 0.18743213 -0.13456582 energy density (per reference volume) = -0.2028424418 Kirchhoff stress -0.61478E-02 -0.69824E-02 -0.27437E-01 -0.69824E-02 0.11316E+00 0.50692E-01 -0.27437E-01 0.50692E-01 0.16304E-01 *** step number: 43 *** Deformation gradient in current step 0.78500000 -0.21500000 -0.21500000 0.21500000 1.21500000 0.21500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.37962879 0.19371345 -0.13877889 energy density (per reference volume) = -0.2018483162 Kirchhoff stress -0.51651E-02 -0.72631E-02 -0.27560E-01 -0.72631E-02 0.11566E+00 0.51830E-01 -0.27560E-01 0.51830E-01 0.17400E-01 *** step number: 44 *** Deformation gradient in current step 0.78000000 -0.22000000 -0.22000000 0.22000000 1.22000000 0.22000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.39132958 0.20018277 -0.14281706 energy density (per reference volume) = -0.2008403654 Kirchhoff stress -0.42482E-02 -0.75944E-02 -0.27712E-01 -0.75944E-02 0.11806E+00 0.52944E-01 -0.27712E-01 0.52944E-01 0.18438E-01 *** step number: 45 *** Deformation gradient in current step 0.77500000 -0.22500000 -0.22500000 0.22500000 1.22500000 0.22500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.40283277 0.20685914 -0.14665601 energy density (per reference volume) = -0.1998188336 Kirchhoff stress -0.33968E-02 -0.79766E-02 -0.27887E-01 -0.79766E-02 0.12033E+00 0.54024E-01 -0.27887E-01 0.54024E-01 0.19411E-01 *** step number: 46 *** Deformation gradient in current step 0.77000000 -0.23000000 -0.23000000 0.23000000 1.23000000 0.23000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.41411596 0.21376198 -0.15027034 energy density (per reference volume) = -0.1987841623 Kirchhoff stress -0.26107E-02 -0.84092E-02 -0.28081E-01 -0.84092E-02 0.12246E+00 0.55059E-01 -0.28081E-01 0.55059E-01 0.20315E-01 *** step number: 47 *** Deformation gradient in current step 0.76500000 -0.23500000 -0.23500000 0.23500000 1.23500000 0.23500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.41644503 0.21930851 -0.15054543 energy density (per reference volume) = -0.1977227046 Kirchhoff stress -0.87187E-02 -0.83053E-02 -0.31541E-01 -0.83053E-02 0.12393E+00 0.57551E-01 -0.31541E-01 0.57551E-01 0.18848E-01 *** step number: 48 *** Deformation gradient in current step 0.76000000 -0.24000000 -0.24000000 0.24000000 1.24000000 0.24000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.41726797 0.22193595 -0.15293334 energy density (per reference volume) = -0.1965614904 Kirchhoff stress -0.18506E-01 -0.77953E-02 -0.36734E-01 -0.77953E-02 0.12659E+00 0.61473E-01 -0.36734E-01 0.61473E-01 0.16161E-01 *** step number: 49 *** Deformation gradient in current step 0.75500000 -0.24500000 -0.24500000 0.24500000 1.24500000 0.24500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.74512291 0.30467477 -0.31628598 energy density (per reference volume) = -0.2025840401 Kirchhoff stress 0.94124E-01 -0.62871E-02 0.31165E-01 -0.62871E-02 0.87028E-01 0.25311E-01 0.31165E-01 0.25311E-01 0.31560E-01 *** step number: 50 *** Deformation gradient in current step 0.75000000 -0.25000000 -0.25000000 0.25000000 1.25000000 0.25000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.74935374 0.30818897 -0.31657273 energy density (per reference volume) = -0.2026164358 Kirchhoff stress 0.90748E-01 -0.62503E-02 0.28277E-01 -0.62503E-02 0.90748E-01 0.28277E-01 0.28277E-01 0.28277E-01 0.31698E-01 *** step number: 51 *** Deformation gradient in current step 0.74500000 -0.25500000 -0.25500000 0.25500000 1.25500000 0.25500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.75236624 0.31191813 -0.31628600 energy density (per reference volume) = -0.2025840401 Kirchhoff stress 0.87028E-01 -0.62872E-02 0.25311E-01 -0.62872E-02 0.94124E-01 0.31165E-01 0.25311E-01 0.31165E-01 0.31560E-01 *** step number: 52 *** Deformation gradient in current step 0.74000000 -0.26000000 -0.26000000 0.26000000 1.26000000 0.26000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.75552700 0.31415943 -0.31704585 energy density (per reference volume) = -0.2024860372 Kirchhoff stress 0.83069E-01 -0.64186E-02 0.21974E-01 -0.64186E-02 0.98662E-01 0.34528E-01 0.21974E-01 0.34528E-01 0.31559E-01 *** step number: 53 *** Deformation gradient in current step 0.73500000 -0.26500000 -0.26500000 0.26500000 1.26500000 0.26500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.76335371 0.30836183 -0.32510130 energy density (per reference volume) = -0.2022813493 Kirchhoff stress 0.79060E-01 -0.67352E-02 0.17201E-01 -0.67352E-02 0.10964E+00 0.40274E-01 0.17201E-01 0.40274E-01 0.33020E-01 *** step number: 54 *** Deformation gradient in current step 0.73000000 -0.27000000 -0.27000000 0.27000000 1.27000000 0.27000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.77000035 0.30244391 -0.33350165 energy density (per reference volume) = -0.2019504246 Kirchhoff stress 0.74634E-01 -0.71412E-02 0.12419E-01 -0.71412E-02 0.11994E+00 0.45728E-01 0.12419E-01 0.45728E-01 0.33989E-01 *** step number: 55 *** Deformation gradient in current step 0.72500000 -0.27500000 -0.27500000 0.27500000 1.27500000 0.27500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.77553527 0.29646061 -0.34234412 energy density (per reference volume) = -0.2014963253 Kirchhoff stress 0.69824E-01 -0.76171E-02 0.76597E-02 -0.76171E-02 0.12952E+00 0.50857E-01 0.76597E-02 0.50857E-01 0.34460E-01 *** step number: 56 *** Deformation gradient in current step 0.72000000 -0.28000000 -0.28000000 0.28000000 1.28000000 0.28000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.78001016 0.29045675 -0.35171589 energy density (per reference volume) = -0.2009228337 Kirchhoff stress 0.64660E-01 -0.81453E-02 0.29512E-02 -0.81453E-02 0.13833E+00 0.55634E-01 0.29512E-02 0.55634E-01 0.34430E-01 *** step number: 57 *** Deformation gradient in current step 0.71500000 -0.28500000 -0.28500000 0.28500000 1.28500000 0.28500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.78346313 0.28446883 -0.36169604 energy density (per reference volume) = -0.2002344323 Kirchhoff stress 0.59175E-01 -0.87108E-02 -0.16753E-02 -0.87108E-02 0.14631E+00 0.60030E-01 -0.16753E-02 0.60030E-01 0.33903E-01 *** step number: 58 *** Deformation gradient in current step 0.71000000 -0.29000000 -0.29000000 0.29000000 1.29000000 0.29000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.78592006 0.27852616 -0.37235689 energy density (per reference volume) = -0.1994363001 Kirchhoff stress 0.53404E-01 -0.93007E-02 -0.61870E-02 -0.93007E-02 0.15341E+00 0.64021E-01 -0.61870E-02 0.64021E-01 0.32883E-01 *** step number: 59 *** Deformation gradient in current step 0.70500000 -0.29500000 -0.29500000 0.29500000 1.29500000 0.29500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.79157308 0.27270334 -0.37733705 energy density (per reference volume) = -0.1985186917 Kirchhoff stress 0.49244E-01 -0.12332E-01 -0.14210E-01 -0.12332E-01 0.16954E+00 0.72746E-01 -0.14210E-01 0.72746E-01 0.35549E-01 *** step number: 60 *** Deformation gradient in current step 0.70000000 -0.30000000 -0.30000000 0.30000000 1.30000000 0.30000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.80257262 0.26741524 -0.37194295 energy density (per reference volume) = -0.1973217631 Kirchhoff stress 0.48175E-01 -0.19785E-01 -0.28099E-01 -0.19785E-01 0.20141E+00 0.89716E-01 -0.28099E-01 0.89716E-01 0.44656E-01 *** step number: 61 *** Deformation gradient in current step 0.69500000 -0.30500000 -0.30500000 0.30500000 1.30500000 0.30500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.81100811 0.26306534 -0.36719000 energy density (per reference volume) = -0.1958145090 Kirchhoff stress 0.47217E-01 -0.27456E-01 -0.41216E-01 -0.27456E-01 0.23134E+00 0.10570E+00 -0.41216E-01 0.10570E+00 0.52895E-01 *** step number: 62 *** Deformation gradient in current step 0.69000000 -0.31000000 -0.31000000 0.31000000 1.31000000 0.31000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.81579432 0.26045725 -0.36297045 energy density (per reference volume) = -0.1940221521 Kirchhoff stress 0.46568E-01 -0.35004E-01 -0.52924E-01 -0.35004E-01 0.25808E+00 0.11997E+00 -0.52924E-01 0.11997E+00 0.60024E-01 *** step number: 63 *** Deformation gradient in current step 0.68500000 -0.31500000 -0.31500000 0.31500000 1.31500000 0.31500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.80743766 0.26645601 -0.35558512 energy density (per reference volume) = -0.1920021279 Kirchhoff stress 0.46924E-01 -0.40574E-01 -0.58608E-01 -0.40574E-01 0.27174E+00 0.12750E+00 -0.58608E-01 0.12750E+00 0.63859E-01 *** step number: 64 *** Deformation gradient in current step 0.68000000 -0.32000000 -0.32000000 0.32000000 1.32000000 0.32000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.65006312 0.50863386 -0.10684835 energy density (per reference volume) = -0.2085245579 Kirchhoff stress 0.97192E-01 -0.62501E-02 0.43880E-01 -0.62501E-02 -0.13345E-01 -0.27491E-01 0.43880E-01 -0.27491E-01 0.88936E-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 1.35734793 1.35734793 1.35734793 -0.64955560 0.51512411 -0.10200939 energy density (per reference volume) = -0.2094285741 Kirchhoff stress 0.94526E-01 -0.62549E-02 0.42822E-01 -0.62549E-02 -0.14729E-01 -0.27644E-01 0.42822E-01 -0.27644E-01 0.75984E-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 1.35734793 1.35734793 1.35734793 -0.64894253 0.52155375 -0.09715690 energy density (per reference volume) = -0.2103220233 Kirchhoff stress 0.91893E-01 -0.62833E-02 0.41803E-01 -0.62833E-02 -0.16152E-01 -0.27835E-01 0.41803E-01 -0.27835E-01 0.63118E-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 1.35734793 1.35734793 1.35734793 -0.64825843 0.52792079 -0.09230788 energy density (per reference volume) = -0.2112056405 Kirchhoff stress 0.89303E-01 -0.63295E-02 0.40825E-01 -0.63295E-02 -0.17602E-01 -0.28059E-01 0.40825E-01 -0.28059E-01 0.50442E-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 1.35734793 1.35734793 1.35734793 -0.64753547 0.53422202 -0.08747878 energy density (per reference volume) = -0.2120801429 Kirchhoff stress 0.86761E-01 -0.63872E-02 0.39891E-01 -0.63872E-02 -0.19072E-01 -0.28311E-01 0.39891E-01 -0.28311E-01 0.38063E-02 *** step number: 69 *** Deformation gradient in current step 0.65500000 -0.34500000 -0.34500000 0.34500000 1.34500000 0.34500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64680337 0.54045316 -0.08268540 energy density (per reference volume) = -0.2129461980 Kirchhoff stress 0.84271E-01 -0.64501E-02 0.39002E-01 -0.64501E-02 -0.20549E-01 -0.28585E-01 0.39002E-01 -0.28585E-01 0.26086E-02 *** step number: 70 *** Deformation gradient in current step 0.65000000 -0.35000000 -0.35000000 0.35000000 1.35000000 0.35000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64608923 0.54660897 -0.07794285 energy density (per reference volume) = -0.2138043917 Kirchhoff stress 0.81836E-01 -0.65119E-02 0.38156E-01 -0.65119E-02 -0.22022E-01 -0.28872E-01 0.38156E-01 -0.28872E-01 0.14617E-02 *** step number: 71 *** Deformation gradient in current step 0.64500000 -0.35500000 -0.35500000 0.35500000 1.35500000 0.35500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64541744 0.55268343 -0.07326548 energy density (per reference volume) = -0.2146551960 Kirchhoff stress 0.79455E-01 -0.65661E-02 0.37353E-01 -0.65661E-02 -0.23475E-01 -0.29163E-01 0.37353E-01 -0.29163E-01 0.37574E-03 *** step number: 72 *** Deformation gradient in current step 0.64000000 -0.36000000 -0.36000000 0.36000000 1.36000000 0.36000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64480954 0.55866975 -0.06866688 energy density (per reference volume) = -0.2154989383 Kirchhoff stress 0.77125E-01 -0.66066E-02 0.36588E-01 -0.66066E-02 -0.24894E-01 -0.29448E-01 0.36588E-01 -0.29448E-01 -0.63957E-03 *** step number: 73 *** Deformation gradient in current step 0.63500000 -0.36500000 -0.36500000 0.36500000 1.36500000 0.36500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64428414 0.56456070 -0.06415969 energy density (per reference volume) = -0.2163357716 Kirchhoff stress 0.74840E-01 -0.66277E-02 0.35856E-01 -0.66277E-02 -0.26264E-01 -0.29716E-01 0.35856E-01 -0.29716E-01 -0.15753E-02 *** step number: 74 *** Deformation gradient in current step 0.63000000 -0.37000000 -0.37000000 0.37000000 1.37000000 0.37000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64385685 0.57034869 -0.05975564 energy density (per reference volume) = -0.2171656478 Kirchhoff stress 0.72594E-01 -0.66239E-02 0.35150E-01 -0.66239E-02 -0.27567E-01 -0.29954E-01 0.35150E-01 -0.29954E-01 -0.24232E-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 1.35734793 1.35734793 1.35734793 -0.64354032 0.57602599 -0.05546545 energy density (per reference volume) = -0.2179882942 Kirchhoff stress 0.70378E-01 -0.65908E-02 0.34464E-01 -0.65908E-02 -0.28785E-01 -0.30149E-01 0.34464E-01 -0.30149E-01 -0.31765E-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 1.35734793 1.35734793 1.35734793 -0.64334426 0.58158493 -0.05129880 energy density (per reference volume) = -0.2188031946 Kirchhoff stress 0.68180E-01 -0.65245E-02 0.33787E-01 -0.65245E-02 -0.29902E-01 -0.30289E-01 0.33787E-01 -0.30289E-01 -0.38291E-02 *** step number: 77 *** Deformation gradient in current step 0.61500000 -0.38500000 -0.38500000 0.38500000 1.38500000 0.38500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64327562 0.58701815 -0.04726432 energy density (per reference volume) = -0.2196095752 Kirchhoff stress 0.65990E-01 -0.64220E-02 0.33111E-01 -0.64220E-02 -0.30899E-01 -0.30359E-01 0.33111E-01 -0.30359E-01 -0.43770E-02 *** step number: 78 *** Deformation gradient in current step 0.61000000 -0.39000000 -0.39000000 0.39000000 1.39000000 0.39000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64333878 0.59231880 -0.04336962 energy density (per reference volume) = -0.2204063960 Kirchhoff stress 0.63795E-01 -0.62813E-02 0.32425E-01 -0.62813E-02 -0.31759E-01 -0.30347E-01 0.32425E-01 -0.30347E-01 -0.48171E-02 *** step number: 79 *** Deformation gradient in current step 0.60500000 -0.39500000 -0.39500000 0.39500000 1.39500000 0.39500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64353584 0.59748078 -0.03962128 energy density (per reference volume) = -0.2211923489 Kirchhoff stress 0.61581E-01 -0.61016E-02 0.31718E-01 -0.61016E-02 -0.32464E-01 -0.30240E-01 0.31718E-01 -0.30240E-01 -0.51484E-02 *** step number: 80 *** Deformation gradient in current step 0.60000000 -0.40000000 -0.40000000 0.40000000 1.40000000 0.40000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64386703 0.60249898 -0.03602495 energy density (per reference volume) = -0.2219658617 Kirchhoff stress 0.59335E-01 -0.58830E-02 0.30980E-01 -0.58830E-02 -0.32999E-01 -0.30027E-01 0.30980E-01 -0.30027E-01 -0.53717E-02 *** step number: 81 *** Deformation gradient in current step 0.59500000 -0.40500000 -0.40500000 0.40500000 1.40500000 0.40500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64433101 0.60736946 -0.03258539 energy density (per reference volume) = -0.2227251091 Kirchhoff stress 0.57046E-01 -0.56268E-02 0.30199E-01 -0.56268E-02 -0.33348E-01 -0.29696E-01 0.30199E-01 -0.29696E-01 -0.54892E-02 *** step number: 82 *** Deformation gradient in current step 0.59000000 -0.41000000 -0.41000000 0.41000000 1.41000000 0.41000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64492541 0.61208967 -0.02930657 energy density (per reference volume) = -0.2234680296 Kirchhoff stress 0.54700E-01 -0.53351E-02 0.29365E-01 -0.53351E-02 -0.33499E-01 -0.29239E-01 0.29365E-01 -0.29239E-01 -0.55054E-02 *** step number: 83 *** Deformation gradient in current step 0.58500000 -0.41500000 -0.41500000 0.41500000 1.41500000 0.41500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64564730 0.61665871 -0.02619183 energy density (per reference volume) = -0.2241923489 Kirchhoff stress 0.52288E-01 -0.50114E-02 0.28468E-01 -0.50114E-02 -0.33439E-01 -0.28647E-01 0.28468E-01 -0.28647E-01 -0.54261E-02 *** step number: 84 *** Deformation gradient in current step 0.58000000 -0.42000000 -0.42000000 0.42000000 1.42000000 0.42000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.64649365 0.62107730 -0.02324390 energy density (per reference volume) = -0.2248956081 Kirchhoff stress 0.49799E-01 -0.46598E-02 0.27499E-01 -0.46598E-02 -0.33160E-01 -0.27916E-01 0.27499E-01 -0.27916E-01 -0.52593E-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 1.35734793 1.35734793 1.35734793 -0.64746154 0.62534794 -0.02046498 energy density (per reference volume) = -0.2255751971 Kirchhoff stress 0.47227E-01 -0.42851E-02 0.26450E-01 -0.42851E-02 -0.32653E-01 -0.27041E-01 0.26450E-01 -0.27041E-01 -0.50139E-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 1.35734793 1.35734793 1.35734793 -0.64854904 0.62947516 -0.01785707 energy density (per reference volume) = -0.2262283913 Kirchhoff stress 0.44566E-01 -0.38930E-02 0.25313E-01 -0.38930E-02 -0.31914E-01 -0.26021E-01 0.25313E-01 -0.26021E-01 -0.47006E-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 1.35734793 1.35734793 1.35734793 -0.64975509 0.63346522 -0.01542174 energy density (per reference volume) = -0.2268523916 Kirchhoff stress 0.41812E-01 -0.34897E-02 0.24084E-01 -0.34897E-02 -0.30941E-01 -0.24855E-01 0.24084E-01 -0.24855E-01 -0.43309E-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 1.35734793 1.35734793 1.35734793 -0.65108000 0.63732634 -0.01316043 energy density (per reference volume) = -0.2274443650 Kirchhoff stress 0.38965E-01 -0.30814E-02 0.22758E-01 -0.30814E-02 -0.29733E-01 -0.23548E-01 0.22758E-01 -0.23548E-01 -0.39174E-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 1.35734793 1.35734793 1.35734793 -0.65252558 0.64106850 -0.01107440 energy density (per reference volume) = -0.2280014873 Kirchhoff stress 0.36025E-01 -0.26749E-02 0.21332E-01 -0.26749E-02 -0.28293E-01 -0.22103E-01 0.21332E-01 -0.22103E-01 -0.34730E-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 1.35734793 1.35734793 1.35734793 -0.65409561 0.64470347 -0.00916495 energy density (per reference volume) = -0.2285209843 Kirchhoff stress 0.32997E-01 -0.22768E-02 0.19807E-01 -0.22768E-02 -0.26626E-01 -0.20526E-01 0.19807E-01 -0.20526E-01 -0.30111E-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 1.35734793 1.35734793 1.35734793 -0.65579523 0.64824450 -0.00743313 energy density (per reference volume) = -0.2290001729 Kirchhoff stress 0.29885E-01 -0.18936E-02 0.18182E-01 -0.18936E-02 -0.24740E-01 -0.18827E-01 0.18182E-01 -0.18827E-01 -0.25449E-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 1.35734793 1.35734793 1.35734793 -0.65763167 0.65170638 -0.00588006 energy density (per reference volume) = -0.2294364998 Kirchhoff stress 0.26698E-01 -0.15318E-02 0.16460E-01 -0.15318E-02 -0.22644E-01 -0.17016E-01 0.16460E-01 -0.17016E-01 -0.20873E-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 1.35734793 1.35734793 1.35734793 -0.65961394 0.65510516 -0.00450679 energy density (per reference volume) = -0.2298275777 Kirchhoff stress 0.23445E-01 -0.11972E-02 0.14645E-01 -0.11972E-02 -0.20349E-01 -0.15102E-01 0.14645E-01 -0.15102E-01 -0.16509E-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 1.35734793 1.35734793 1.35734793 -0.66175278 0.65845802 -0.00331430 energy density (per reference volume) = -0.2301712188 Kirchhoff stress 0.20138E-01 -0.89528E-03 0.12744E-01 -0.89528E-03 -0.17869E-01 -0.13100E-01 0.12744E-01 -0.13100E-01 -0.12471E-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 1.35734793 1.35734793 1.35734793 -0.66406061 0.66178312 -0.00230352 energy density (per reference volume) = -0.2304654649 Kirchhoff stress 0.16790E-01 -0.63107E-03 0.10762E-01 -0.63107E-03 -0.15218E-01 -0.11022E-01 0.10762E-01 -0.11022E-01 -0.88640E-03 *** step number: 96 *** Deformation gradient in current step 0.52000000 -0.48000000 -0.48000000 0.48000000 1.48000000 0.48000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.66655145 0.66509939 -0.00147529 energy density (per reference volume) = -0.2307086138 Kirchhoff stress 0.13417E-01 -0.40882E-03 0.87093E-02 -0.40882E-03 -0.12412E-01 -0.88818E-02 0.87093E-02 -0.88818E-02 -0.57809E-03 *** step number: 97 *** Deformation gradient in current step 0.51500000 -0.48500000 -0.48500000 0.48500000 1.48500000 0.48500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.66924077 0.66842642 -0.00083031 energy density (per reference volume) = -0.2308992417 Kirchhoff stress 0.10034E-01 -0.23213E-03 0.65951E-02 -0.23213E-03 -0.94692E-02 -0.66950E-02 0.65951E-02 -0.66950E-02 -0.32995E-03 *** step number: 98 *** Deformation gradient in current step 0.51000000 -0.49000000 -0.49000000 0.49000000 1.49000000 0.49000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.67214540 0.67178425 -0.00036917 energy density (per reference volume) = -0.2310362217 Kirchhoff stress 0.66579E-02 -0.10386E-03 0.44306E-02 -0.10386E-03 -0.64072E-02 -0.44759E-02 0.44306E-02 -0.44759E-02 -0.14817E-03 *** step number: 99 *** Deformation gradient in current step 0.50500000 -0.49500000 -0.49500000 0.49500000 1.49500000 0.49500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.67528342 0.67519325 -0.00009232 energy density (per reference volume) = -0.2311187387 Kirchhoff stress 0.33071E-02 -0.26071E-04 0.22279E-02 -0.26071E-04 -0.32444E-02 -0.22394E-02 0.22279E-02 -0.22394E-02 -0.37271E-04 *** step number: 100 *** Deformation gradient in current step 0.50000000 -0.50000000 -0.50000000 0.50000000 1.50000000 0.50000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35734793 1.35734793 1.35734793 -0.67867396 0.67867397 0.00000000 energy density (per reference volume) = -0.2311462995 Kirchhoff stress -0.84677E-15 0.44372E-09 0.69584E-09 0.44372E-09 -0.62514E-15 -0.38995E-09 0.69584E-09 -0.38995E-09 -0.43705E-15 * CB-KIM calculation successfully completed