---------------------------------------------------------------------------- c a u c h y - b o r n c o n s t i t u t i v e m o d e l This program computes the finite deformation constitutive response of an arbitrary multilattice single crystal. The code is based on the local quasicontinuum (QC) method (http://qcmethod.org). The program uses interatomic potentials compatible with the Knowledgebase of Interatomic Models (KIM) project (https://openkim.org). Copyright (C) 2015 E. B. Tadmor ---------------------------------------------------------------------------- Test calculation: Lattice invariance shear of cubic crystal **setting factor** * Default globaltol set to 0.10000E-15 CG global tolerance = 0.10000E-15 **reading material data** Material name 'Si(diamond)' material information Bravais lattice vectors: a1 = 0.00000 1.50000 1.50000 a2 = 1.50000 0.00000 1.50000 a3 = 1.50000 1.50000 0.00000 Basis atoms: Number of basis atoms = 2 spec mass reference shift vector 14 1.00 0.00000 0.00000 0.00000 14 1.00 0.75000 0.75000 0.75000 **reading constitutive information** * Error: at line 169 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion * Error: at line 208 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion KIM Model name: Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_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: 3.2000000000 **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 2.71561537423452836748 2.71561537423452836748 2.71561537423452836748 0.00000000000000000000 2.71561537423452836748 2.71561537423452836748 2.71561537423452836748 0.00000000000000000000 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 1.35780768711726418374 1.35780768711726418374 1.35780768711726418374 **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 1.35780769 1.35780769 1.35780769 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -0.2312143977 Kirchhoff stress 0.67603E-11 -0.16805E-15 -0.17913E-15 -0.16805E-15 0.67603E-11 -0.17601E-15 -0.17913E-15 -0.17601E-15 0.67603E-11 *** step number: 1 *** Deformation gradient in current step 0.99500000 -0.00500000 -0.00500000 0.00500000 1.00500000 0.00500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35780769 1.35780769 1.35780769 -0.00578618 0.00555442 -0.00012168 energy density (per reference volume) = -0.2312071890 Kirchhoff stress -0.10634E-02 -0.15857E-04 -0.33438E-03 -0.15857E-04 0.11765E-02 0.30871E-03 -0.33438E-03 0.30871E-03 0.30416E-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 1.35780769 1.35780769 1.35780769 -0.01181417 0.01088727 -0.00048665 energy density (per reference volume) = -0.2311855770 Kirchhoff stress -0.20121E-02 -0.63324E-04 -0.69317E-03 -0.63324E-04 0.24645E-02 0.59065E-03 -0.69317E-03 0.59065E-03 0.12177E-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 1.35780769 1.35780769 1.35780769 -0.01809389 0.01600879 -0.00109472 energy density (per reference volume) = -0.2311496038 Kirchhoff stress -0.28445E-02 -0.14209E-03 -0.10749E-02 -0.14209E-03 0.38622E-02 0.84497E-03 -0.10749E-02 0.84497E-03 0.27435E-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 1.35780769 1.35780769 1.35780769 -0.02463501 0.02092928 -0.00194556 energy density (per reference volume) = -0.2310993388 Kirchhoff stress -0.35592E-02 -0.25166E-03 -0.14781E-02 -0.25166E-03 0.53680E-02 0.10711E-02 -0.14781E-02 0.10711E-02 0.48868E-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 1.35780769 1.35780769 1.35780769 -0.03144701 0.02565913 -0.00303871 energy density (per reference volume) = -0.2310348767 Kirchhoff stress -0.41547E-02 -0.39129E-03 -0.19010E-02 -0.39129E-03 0.69803E-02 0.12686E-02 -0.19010E-02 0.12686E-02 0.76544E-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 1.35780769 1.35780769 1.35780769 -0.03853893 0.03020863 -0.00437351 energy density (per reference volume) = -0.2309563357 Kirchhoff stress -0.46301E-02 -0.56006E-03 -0.23419E-02 -0.56006E-03 0.86976E-02 0.14376E-02 -0.23419E-02 0.14376E-02 0.11055E-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 1.35780769 1.35780769 1.35780769 -0.04591949 0.03458813 -0.00594908 energy density (per reference volume) = -0.2308638545 Kirchhoff stress -0.49842E-02 -0.75683E-03 -0.27991E-02 -0.75683E-03 0.10518E-01 0.15785E-02 -0.27991E-02 0.15785E-02 0.15098E-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 1.35780769 1.35780769 1.35780769 -0.05359682 0.03880795 -0.00776435 energy density (per reference volume) = -0.2307575890 Kirchhoff stress -0.52164E-02 -0.98026E-03 -0.32707E-02 -0.98026E-03 0.12441E-01 0.16922E-02 -0.32707E-02 0.16922E-02 0.19796E-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 1.35780769 1.35780769 1.35780769 -0.06157843 0.04287833 -0.00981795 energy density (per reference volume) = -0.2306377074 Kirchhoff stress -0.53264E-02 -0.12288E-02 -0.37551E-02 -0.12288E-02 0.14465E-01 0.17800E-02 -0.37551E-02 0.17800E-02 0.25161E-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 1.35780769 1.35780769 1.35780769 -0.06987112 0.04680943 -0.01210820 energy density (per reference volume) = -0.2305043858 Kirchhoff stress -0.53141E-02 -0.15007E-02 -0.42505E-02 -0.15007E-02 0.16588E-01 0.18437E-02 -0.42505E-02 0.18437E-02 0.31205E-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 1.35780769 1.35780769 1.35780769 -0.07848076 0.05061134 -0.01463306 energy density (per reference volume) = -0.2303578016 Kirchhoff stress -0.51799E-02 -0.17941E-02 -0.47553E-02 -0.17941E-02 0.18811E-01 0.18857E-02 -0.47553E-02 0.18857E-02 0.37942E-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 1.35780769 1.35780769 1.35780769 -0.08741224 0.05429398 -0.01739009 energy density (per reference volume) = -0.2301981280 Kirchhoff stress -0.49247E-02 -0.21070E-02 -0.52679E-02 -0.21070E-02 0.21131E-01 0.19088E-02 -0.52679E-02 0.19088E-02 0.45385E-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 1.35780769 1.35780769 1.35780769 -0.09666920 0.05786711 -0.02037641 energy density (per reference volume) = -0.2300255259 Kirchhoff stress -0.45501E-02 -0.24370E-02 -0.57871E-02 -0.24370E-02 0.23550E-01 0.19166E-02 -0.57871E-02 0.19166E-02 0.53544E-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 1.35780769 1.35780769 1.35780769 -0.10625407 0.06134032 -0.02358864 energy density (per reference volume) = -0.2298401370 Kirchhoff stress -0.40581E-02 -0.27821E-02 -0.63117E-02 -0.27821E-02 0.26065E-01 0.19131E-02 -0.63117E-02 0.19131E-02 0.62431E-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 1.35780769 1.35780769 1.35780769 -0.11616770 0.06472293 -0.02702286 energy density (per reference volume) = -0.2296420756 Kirchhoff stress -0.34514E-02 -0.31398E-02 -0.68406E-02 -0.31398E-02 0.28679E-01 0.19029E-02 -0.68406E-02 0.19029E-02 0.72053E-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 1.35780769 1.35780769 1.35780769 -0.12640934 0.06802400 -0.03067458 energy density (per reference volume) = -0.2294314204 Kirchhoff stress -0.27334E-02 -0.35079E-02 -0.73734E-02 -0.35079E-02 0.31389E-01 0.18911E-02 -0.73734E-02 0.18911E-02 0.82414E-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 1.35780769 1.35780769 1.35780769 -0.13697645 0.07125228 -0.03453867 energy density (per reference volume) = -0.2292082069 Kirchhoff stress -0.19084E-02 -0.38842E-02 -0.79094E-02 -0.38842E-02 0.34198E-01 0.18832E-02 -0.79094E-02 0.18832E-02 0.93516E-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 1.35780769 1.35780769 1.35780769 -0.14786453 0.07441618 -0.03860935 energy density (per reference volume) = -0.2289724192 Kirchhoff stress -0.98118E-03 -0.42664E-02 -0.84485E-02 -0.42664E-02 0.37104E-01 0.18853E-02 -0.84485E-02 0.18853E-02 0.10535E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.15906701 0.07752372 -0.04288014 energy density (per reference volume) = -0.2287239834 Kirchhoff stress 0.42513E-04 -0.46527E-02 -0.89908E-02 -0.46527E-02 0.40108E-01 0.19034E-02 -0.89908E-02 0.19034E-02 0.11792E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.17057512 0.08058253 -0.04734384 energy density (per reference volume) = -0.2284627612 Kirchhoff stress 0.11562E-02 -0.50412E-02 -0.95368E-02 -0.50412E-02 0.43211E-01 0.19441E-02 -0.95368E-02 0.19441E-02 0.13120E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.18237775 0.08359978 -0.05199252 energy density (per reference volume) = -0.2281885446 Kirchhoff stress 0.23528E-02 -0.54304E-02 -0.10087E-01 -0.54304E-02 0.46412E-01 0.20137E-02 -0.10087E-01 0.20137E-02 0.14518E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.19446136 0.08658221 -0.05681750 energy density (per reference volume) = -0.2279010527 Kirchhoff stress 0.36244E-02 -0.58190E-02 -0.10642E-01 -0.58190E-02 0.49712E-01 0.21186E-02 -0.10642E-01 0.21186E-02 0.15982E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.20680997 0.08953608 -0.06180926 energy density (per reference volume) = -0.2275999294 Kirchhoff stress 0.49625E-02 -0.62062E-02 -0.11204E-01 -0.62062E-02 0.53109E-01 0.22649E-02 -0.11204E-01 0.22649E-02 0.17508E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.21940497 0.09246721 -0.06695766 energy density (per reference volume) = -0.2272847433 Kirchhoff stress 0.63578E-02 -0.65914E-02 -0.11773E-01 -0.65914E-02 0.56602E-01 0.24583E-02 -0.11773E-01 0.24583E-02 0.19094E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.23222519 0.09538097 -0.07225169 energy density (per reference volume) = -0.2269549899 Kirchhoff stress 0.78009E-02 -0.69744E-02 -0.12351E-01 -0.69744E-02 0.60190E-01 0.27041E-02 -0.12351E-01 0.27041E-02 0.20732E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.24524695 0.09828227 -0.07767970 energy density (per reference volume) = -0.2266100958 Kirchhoff stress 0.92818E-02 -0.73553E-02 -0.12939E-01 -0.73553E-02 0.63870E-01 0.30067E-02 -0.12939E-01 0.30067E-02 0.22419E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.25844388 0.10117567 -0.08322925 energy density (per reference volume) = -0.2262494252 Kirchhoff stress 0.10790E-01 -0.77347E-02 -0.13539E-01 -0.77347E-02 0.67639E-01 0.33695E-02 -0.13539E-01 0.33695E-02 0.24146E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.27178712 0.10406537 -0.08888731 energy density (per reference volume) = -0.2258722889 Kirchhoff stress 0.12315E-01 -0.81133E-02 -0.14151E-01 -0.81133E-02 0.71491E-01 0.37953E-02 -0.14151E-01 0.37953E-02 0.25906E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.28524533 0.10695535 -0.09464017 energy density (per reference volume) = -0.2254779557 Kirchhoff stress 0.13847E-01 -0.84924E-02 -0.14778E-01 -0.84924E-02 0.75421E-01 0.42854E-02 -0.14778E-01 0.42854E-02 0.27692E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.29878474 0.10984942 -0.10047353 energy density (per reference volume) = -0.2250656659 Kirchhoff stress 0.15375E-01 -0.88733E-02 -0.15419E-01 -0.88733E-02 0.79421E-01 0.48399E-02 -0.15419E-01 0.48399E-02 0.29495E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.31236936 0.11275136 -0.10637261 energy density (per reference volume) = -0.2246346470 Kirchhoff stress 0.16888E-01 -0.92575E-02 -0.16075E-01 -0.92575E-02 0.83483E-01 0.54576E-02 -0.16075E-01 0.54576E-02 0.31304E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.32596078 0.11566515 -0.11232198 energy density (per reference volume) = -0.2241841314 Kirchhoff stress 0.18377E-01 -0.96465E-02 -0.16747E-01 -0.96465E-02 0.87598E-01 0.61358E-02 -0.16747E-01 0.61358E-02 0.33112E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.33951855 0.11859510 -0.11830577 energy density (per reference volume) = -0.2237133756 Kirchhoff stress 0.19833E-01 -0.10042E-01 -0.17434E-01 -0.10042E-01 0.91752E-01 0.68702E-02 -0.17434E-01 0.68702E-02 0.34906E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.35300016 0.12154620 -0.12430758 energy density (per reference volume) = -0.2232216812 Kirchhoff stress 0.21246E-01 -0.10446E-01 -0.18134E-01 -0.10446E-01 0.95933E-01 0.76552E-02 -0.18134E-01 0.76552E-02 0.36679E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.36636104 0.12452448 -0.13031043 energy density (per reference volume) = -0.2227084159 Kirchhoff stress 0.22609E-01 -0.10859E-01 -0.18848E-01 -0.10859E-01 0.10013E+00 0.84837E-02 -0.18848E-01 0.84837E-02 0.38418E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.37955476 0.12753750 -0.13629675 energy density (per reference volume) = -0.2221730369 Kirchhoff stress 0.23913E-01 -0.11283E-01 -0.19572E-01 -0.11283E-01 0.10431E+00 0.93469E-02 -0.19572E-01 0.93469E-02 0.40114E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.39253294 0.13059500 -0.14224819 energy density (per reference volume) = -0.2216151128 Kirchhoff stress 0.25153E-01 -0.11719E-01 -0.20305E-01 -0.11719E-01 0.10847E+00 0.10235E-01 -0.20305E-01 0.10235E-01 0.41756E-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 1.35780769 1.35780769 1.35780769 -0.40524538 0.13370988 -0.14814545 energy density (per reference volume) = -0.2210343465 Kirchhoff stress 0.26322E-01 -0.12166E-01 -0.21043E-01 -0.12166E-01 0.11259E+00 0.11137E-01 -0.21043E-01 0.11137E-01 0.43336E-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 1.35780769 1.35780769 1.35780769 -0.41764005 0.13689937 -0.15396799 energy density (per reference volume) = -0.2204305976 Kirchhoff stress 0.27417E-01 -0.12626E-01 -0.21783E-01 -0.12626E-01 0.11664E+00 0.12040E-01 -0.21783E-01 0.12040E-01 0.44843E-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 1.35780769 1.35780769 1.35780769 -0.42533512 0.13911096 -0.15848483 energy density (per reference volume) = -0.2198015211 Kirchhoff stress 0.25712E-01 -0.12642E-01 -0.23759E-01 -0.12642E-01 0.12028E+00 0.13657E-01 -0.23759E-01 0.13657E-01 0.45357E-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 1.35780769 1.35780769 1.35780769 -0.41611153 0.13764132 -0.15864677 energy density (per reference volume) = -0.2190806134 Kirchhoff stress 0.13999E-01 -0.11063E-01 -0.30190E-01 -0.11063E-01 0.12236E+00 0.17718E-01 -0.30190E-01 0.17718E-01 0.42271E-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 1.35780769 1.35780769 1.35780769 -0.40513309 0.13666490 -0.15898495 energy density (per reference volume) = -0.2182405316 Kirchhoff stress 0.21754E-02 -0.95728E-02 -0.36501E-01 -0.95728E-02 0.12376E+00 0.21443E-01 -0.36501E-01 0.21443E-01 0.38767E-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 1.35780769 1.35780769 1.35780769 -0.39275810 0.13664823 -0.15960219 energy density (per reference volume) = -0.2172881107 Kirchhoff stress -0.94367E-02 -0.82113E-02 -0.42536E-01 -0.82113E-02 0.12440E+00 0.24740E-01 -0.42536E-01 0.24740E-01 0.34944E-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 1.35780769 1.35780769 1.35780769 -0.37924570 0.13823303 -0.16038310 energy density (per reference volume) = -0.2162330952 Kirchhoff stress -0.20536E-01 -0.70379E-02 -0.48184E-01 -0.70379E-02 0.12421E+00 0.27530E-01 -0.48184E-01 0.27530E-01 0.30910E-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 1.35780769 1.35780769 1.35780769 -0.36467530 0.14243306 -0.16070429 energy density (per reference volume) = -0.2150885739 Kirchhoff stress -0.30736E-01 -0.61743E-02 -0.53310E-01 -0.61743E-02 0.12303E+00 0.29637E-01 -0.53310E-01 0.29637E-01 0.26795E-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 1.35780769 1.35780769 1.35780769 -0.34851647 0.15153767 -0.15833068 energy density (per reference volume) = -0.2138743946 Kirchhoff stress -0.39317E-01 -0.59292E-02 -0.57641E-01 -0.59292E-02 0.12025E+00 0.30537E-01 -0.57641E-01 0.30537E-01 0.22772E-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 1.35780769 1.35780769 1.35780769 -0.35653495 0.30342134 -0.02391553 energy density (per reference volume) = -0.2135763793 Kirchhoff stress 0.34936E-01 -0.29300E-01 -0.29998E-01 -0.29300E-01 0.68244E-01 0.42070E-02 -0.29998E-01 0.42070E-02 0.36114E-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 1.35780769 1.35780769 1.35780769 -0.37514654 0.31418073 -0.02168283 energy density (per reference volume) = -0.2133107232 Kirchhoff stress 0.46947E-01 -0.30966E-01 -0.23690E-01 -0.30966E-01 0.65465E-01 -0.23908E-02 -0.23690E-01 -0.23908E-02 0.38733E-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 1.35780769 1.35780769 1.35780769 -0.38670851 0.32155246 -0.02071752 energy density (per reference volume) = -0.2131673296 Kirchhoff stress 0.54311E-01 -0.31635E-01 -0.18358E-01 -0.31635E-01 0.62562E-01 -0.82499E-02 -0.18358E-01 -0.82499E-02 0.39905E-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 1.35780769 1.35780769 1.35780769 -0.39440836 0.32794674 -0.02044090 energy density (per reference volume) = -0.2131220276 Kirchhoff stress 0.59106E-01 -0.31812E-01 -0.13407E-01 -0.31812E-01 0.59106E-01 -0.13407E-01 -0.13407E-01 -0.13407E-01 0.40246E-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 1.35780769 1.35780769 1.35780769 -0.40028819 0.33513213 -0.02071752 energy density (per reference volume) = -0.2131673296 Kirchhoff stress 0.62562E-01 -0.31635E-01 -0.82499E-02 -0.31635E-01 0.54311E-01 -0.18358E-01 -0.82499E-02 -0.18358E-01 0.39905E-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 1.35780769 1.35780769 1.35780769 -0.40604743 0.34508163 -0.02168284 energy density (per reference volume) = -0.2133107232 Kirchhoff stress 0.65465E-01 -0.30966E-01 -0.23908E-02 -0.30966E-01 0.46947E-01 -0.23690E-01 -0.23908E-02 -0.23690E-01 0.38733E-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 1.35780769 1.35780769 1.35780769 -0.41399708 0.36088348 -0.02391555 energy density (per reference volume) = -0.2135763793 Kirchhoff stress 0.68244E-01 -0.29300E-01 0.42070E-02 -0.29300E-01 0.34936E-01 -0.29998E-01 0.42070E-02 -0.29998E-01 0.36114E-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 1.35780769 1.35780769 1.35780769 -0.42485539 0.38185125 -0.02776178 energy density (per reference volume) = -0.2139809704 Kirchhoff stress 0.68950E-01 -0.26465E-01 0.75083E-02 -0.26465E-01 0.20374E-01 -0.34967E-01 0.75083E-02 -0.34967E-01 0.31706E-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 1.35780769 1.35780769 1.35780769 -0.43631409 0.39800624 -0.03235904 energy density (per reference volume) = -0.2144416999 Kirchhoff stress 0.66267E-01 -0.24299E-01 0.29018E-02 -0.24299E-01 0.13390E-01 -0.34193E-01 0.29018E-02 -0.34193E-01 0.27938E-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 1.35780769 1.35780769 1.35780769 -0.74136870 0.50035603 -0.16038310 energy density (per reference volume) = -0.2162330952 Kirchhoff stress 0.12421E+00 -0.70379E-02 0.27530E-01 -0.70379E-02 -0.20536E-01 -0.48184E-01 0.27530E-01 -0.48184E-01 0.30910E-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 1.35780769 1.35780769 1.35780769 -0.75011166 0.49400180 -0.15960223 energy density (per reference volume) = -0.2172881107 Kirchhoff stress 0.12440E+00 -0.82113E-02 0.24740E-01 -0.82113E-02 -0.94367E-02 -0.42536E-01 0.24740E-01 -0.42536E-01 0.34944E-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 1.35780769 1.35780769 1.35780769 -0.75596561 0.48749731 -0.15898492 energy density (per reference volume) = -0.2182405316 Kirchhoff stress 0.12376E+00 -0.95728E-02 0.21443E-01 -0.95728E-02 0.21754E-02 -0.36501E-01 0.21443E-01 -0.36501E-01 0.38767E-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 1.35780769 1.35780769 1.35780769 -0.75982106 0.48135081 -0.15864678 energy density (per reference volume) = -0.2190806134 Kirchhoff stress 0.12236E+00 -0.11063E-01 0.17718E-01 -0.11063E-01 0.13999E-01 -0.30190E-01 0.17718E-01 -0.30190E-01 0.42271E-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 1.35780769 1.35780769 1.35780769 -0.76214737 0.47592322 -0.15848483 energy density (per reference volume) = -0.2198015211 Kirchhoff stress 0.12028E+00 -0.12642E-01 0.13657E-01 -0.12642E-01 0.25712E-01 -0.23759E-01 0.13657E-01 -0.23759E-01 0.45357E-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 1.35780769 1.35780769 1.35780769 -0.75935879 0.47861812 -0.15396798 energy density (per reference volume) = -0.2204305976 Kirchhoff stress 0.11664E+00 -0.12626E-01 0.12040E-01 -0.12626E-01 0.27417E-01 -0.21783E-01 0.12040E-01 -0.21783E-01 0.44843E-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 1.35780769 1.35780769 1.35780769 -0.75503444 0.48349894 -0.14814545 energy density (per reference volume) = -0.2210343465 Kirchhoff stress 0.11259E+00 -0.12166E-01 0.11137E-01 -0.12166E-01 0.26322E-01 -0.21043E-01 0.11137E-01 -0.21043E-01 0.43336E-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 1.35780769 1.35780769 1.35780769 -0.75040190 0.48846397 -0.14224819 energy density (per reference volume) = -0.2216151128 Kirchhoff stress 0.10847E+00 -0.11719E-01 0.10235E-01 -0.11719E-01 0.25153E-01 -0.20305E-01 0.10235E-01 -0.20305E-01 0.41756E-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 1.35780769 1.35780769 1.35780769 -0.74552336 0.49350609 -0.13629675 energy density (per reference volume) = -0.2221730369 Kirchhoff stress 0.10431E+00 -0.11283E-01 0.93469E-02 -0.11283E-01 0.23913E-01 -0.19572E-01 0.93469E-02 -0.19572E-01 0.40114E-01 *** step number: 65 *** Deformation gradient in current step 0.67500000 -0.32500000 -0.32500000 0.32500000 1.32500000 0.32500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35780769 1.35780769 1.35780769 -0.74045286 0.49861630 -0.13031043 energy density (per reference volume) = -0.2227084159 Kirchhoff stress 0.10013E+00 -0.10859E-01 0.84837E-02 -0.10859E-01 0.22609E-01 -0.18848E-01 0.84837E-02 -0.18848E-01 0.38418E-01 *** step number: 66 *** Deformation gradient in current step 0.67000000 -0.33000000 -0.33000000 0.33000000 1.33000000 0.33000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35780769 1.35780769 1.35780769 -0.73523841 0.50378446 -0.12430758 energy density (per reference volume) = -0.2232216812 Kirchhoff stress 0.95933E-01 -0.10446E-01 0.76552E-02 -0.10446E-01 0.21246E-01 -0.18134E-01 0.76552E-02 -0.18134E-01 0.36679E-01 *** step number: 67 *** Deformation gradient in current step 0.66500000 -0.33500000 -0.33500000 0.33500000 1.33500000 0.33500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35780769 1.35780769 1.35780769 -0.72992336 0.50899990 -0.11830577 energy density (per reference volume) = -0.2237133756 Kirchhoff stress 0.91752E-01 -0.10042E-01 0.68702E-02 -0.10042E-01 0.19833E-01 -0.17434E-01 0.68702E-02 -0.17434E-01 0.34906E-01 *** step number: 68 *** Deformation gradient in current step 0.66000000 -0.34000000 -0.34000000 0.34000000 1.34000000 0.34000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35780769 1.35780769 1.35780769 -0.72454749 0.51425188 -0.11232197 energy density (per reference volume) = -0.2241841314 Kirchhoff stress 0.87598E-01 -0.96465E-02 0.61358E-02 -0.96465E-02 0.18377E-01 -0.16747E-01 0.61358E-02 -0.16747E-01 0.33112E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.71914777 0.51952979 -0.10637261 energy density (per reference volume) = -0.2246346470 Kirchhoff stress 0.83483E-01 -0.92575E-02 0.54576E-02 -0.92575E-02 0.16888E-01 -0.16075E-01 0.54576E-02 -0.16075E-01 0.31304E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.71375888 0.52482352 -0.10047355 energy density (per reference volume) = -0.2250656659 Kirchhoff stress 0.79421E-01 -0.88733E-02 0.48399E-02 -0.88733E-02 0.15375E-01 -0.15419E-01 0.48399E-02 -0.15419E-01 0.29495E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.70841357 0.53012357 -0.09464018 energy density (per reference volume) = -0.2254779557 Kirchhoff stress 0.75421E-01 -0.84924E-02 0.42854E-02 -0.84924E-02 0.13847E-01 -0.14778E-01 0.42854E-02 -0.14778E-01 0.27692E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.70314299 0.53542125 -0.08888731 energy density (per reference volume) = -0.2258722889 Kirchhoff stress 0.71491E-01 -0.81133E-02 0.37953E-02 -0.81133E-02 0.12315E-01 -0.14151E-01 0.37953E-02 -0.14151E-01 0.25906E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.69797691 0.54070870 -0.08322925 energy density (per reference volume) = -0.2262494252 Kirchhoff stress 0.67639E-01 -0.77347E-02 0.33695E-02 -0.77347E-02 0.10790E-01 -0.13539E-01 0.33695E-02 -0.13539E-01 0.24146E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.69294376 0.54597908 -0.07767970 energy density (per reference volume) = -0.2266100958 Kirchhoff stress 0.63870E-01 -0.73553E-02 0.30067E-02 -0.73553E-02 0.92818E-02 -0.12939E-01 0.30067E-02 -0.12939E-01 0.22419E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.68807085 0.55122661 -0.07225170 energy density (per reference volume) = -0.2269549899 Kirchhoff stress 0.60190E-01 -0.69744E-02 0.27041E-02 -0.69744E-02 0.78010E-02 -0.12351E-01 0.27041E-02 -0.12351E-01 0.20732E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.68338433 0.55644659 -0.06695766 energy density (per reference volume) = -0.2272847433 Kirchhoff stress 0.56602E-01 -0.65914E-02 0.24583E-02 -0.65914E-02 0.63578E-02 -0.11773E-01 0.24583E-02 -0.11773E-01 0.19094E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.67890934 0.56163545 -0.06180926 energy density (per reference volume) = -0.2275999294 Kirchhoff stress 0.53109E-01 -0.62062E-02 0.22649E-02 -0.62062E-02 0.49625E-02 -0.11204E-01 0.22649E-02 -0.11204E-01 0.17508E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.67466997 0.56679080 -0.05681748 energy density (per reference volume) = -0.2279010527 Kirchhoff stress 0.49712E-01 -0.58190E-02 0.21186E-02 -0.58190E-02 0.36244E-02 -0.10642E-01 0.21186E-02 -0.10642E-01 0.15982E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.67068931 0.57191133 -0.05199251 energy density (per reference volume) = -0.2281885446 Kirchhoff stress 0.46412E-01 -0.54304E-02 0.20137E-02 -0.54304E-02 0.23528E-02 -0.10087E-01 0.20137E-02 -0.10087E-01 0.14518E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.66698953 0.57699694 -0.04734384 energy density (per reference volume) = -0.2284627612 Kirchhoff stress 0.43211E-01 -0.50412E-02 0.19441E-02 -0.50412E-02 0.11562E-02 -0.95368E-02 0.19441E-02 -0.95368E-02 0.13120E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.66359183 0.58204854 -0.04288014 energy density (per reference volume) = -0.2287239834 Kirchhoff stress 0.40108E-01 -0.46527E-02 0.19034E-02 -0.46527E-02 0.42513E-04 -0.89908E-02 0.19034E-02 -0.89908E-02 0.11792E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.66051651 0.58706816 -0.03860935 energy density (per reference volume) = -0.2289724192 Kirchhoff stress 0.37104E-01 -0.42664E-02 0.18853E-02 -0.42664E-02 -0.98118E-03 -0.84485E-02 0.18853E-02 -0.84485E-02 0.10535E-01 *** 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 1.35780769 1.35780769 1.35780769 -0.65778298 0.59205880 -0.03453866 energy density (per reference volume) = -0.2292082069 Kirchhoff stress 0.34198E-01 -0.38842E-02 0.18832E-02 -0.38842E-02 -0.19084E-02 -0.79094E-02 0.18832E-02 -0.79094E-02 0.93516E-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 1.35780769 1.35780769 1.35780769 -0.65540980 0.59702447 -0.03067458 energy density (per reference volume) = -0.2294314204 Kirchhoff stress 0.31389E-01 -0.35079E-02 0.18911E-02 -0.35079E-02 -0.27334E-02 -0.73734E-02 0.18911E-02 -0.73734E-02 0.82414E-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 1.35780769 1.35780769 1.35780769 -0.65341473 0.60196996 -0.02702287 energy density (per reference volume) = -0.2296420756 Kirchhoff stress 0.28679E-01 -0.31398E-02 0.19029E-02 -0.31398E-02 -0.34514E-02 -0.68406E-02 0.19029E-02 -0.68406E-02 0.72053E-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 1.35780769 1.35780769 1.35780769 -0.65181472 0.60690097 -0.02358864 energy density (per reference volume) = -0.2298401370 Kirchhoff stress 0.26065E-01 -0.27821E-02 0.19131E-02 -0.27821E-02 -0.40581E-02 -0.63117E-02 0.19131E-02 -0.63117E-02 0.62431E-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 1.35780769 1.35780769 1.35780769 -0.65062598 0.61182389 -0.02037641 energy density (per reference volume) = -0.2300255259 Kirchhoff stress 0.23550E-01 -0.24370E-02 0.19166E-02 -0.24370E-02 -0.45501E-02 -0.57871E-02 0.19166E-02 -0.57871E-02 0.53544E-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 1.35780769 1.35780769 1.35780769 -0.64986404 0.61674579 -0.01739009 energy density (per reference volume) = -0.2301981280 Kirchhoff stress 0.21131E-01 -0.21070E-02 0.19088E-02 -0.21070E-02 -0.49247E-02 -0.52679E-02 0.19088E-02 -0.52679E-02 0.45385E-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 1.35780769 1.35780769 1.35780769 -0.64954371 0.62167431 -0.01463305 energy density (per reference volume) = -0.2303578016 Kirchhoff stress 0.18811E-01 -0.17941E-02 0.18857E-02 -0.17941E-02 -0.51799E-02 -0.47553E-02 0.18857E-02 -0.47553E-02 0.37942E-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 1.35780769 1.35780769 1.35780769 -0.64967935 0.62661767 -0.01210820 energy density (per reference volume) = -0.2305043858 Kirchhoff stress 0.16588E-01 -0.15007E-02 0.18437E-02 -0.15007E-02 -0.53141E-02 -0.42505E-02 0.18437E-02 -0.42505E-02 0.31205E-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 1.35780769 1.35780769 1.35780769 -0.65028455 0.63158444 -0.00981795 energy density (per reference volume) = -0.2306377074 Kirchhoff stress 0.14465E-01 -0.12288E-02 0.17800E-02 -0.12288E-02 -0.53264E-02 -0.37551E-02 0.17800E-02 -0.37551E-02 0.25161E-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 1.35780769 1.35780769 1.35780769 -0.65137250 0.63658364 -0.00776435 energy density (per reference volume) = -0.2307575890 Kirchhoff stress 0.12441E-01 -0.98027E-03 0.16923E-02 -0.98027E-03 -0.52164E-02 -0.32707E-02 0.16923E-02 -0.32707E-02 0.19796E-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 1.35780769 1.35780769 1.35780769 -0.65295590 0.64162456 -0.00594907 energy density (per reference volume) = -0.2308638545 Kirchhoff stress 0.10518E-01 -0.75683E-03 0.15786E-02 -0.75683E-03 -0.49842E-02 -0.27991E-02 0.15786E-02 -0.27991E-02 0.15098E-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 1.35780769 1.35780769 1.35780769 -0.65504712 0.64671681 -0.00437350 energy density (per reference volume) = -0.2309563357 Kirchhoff stress 0.86976E-02 -0.56006E-03 0.14376E-02 -0.56006E-03 -0.46301E-02 -0.23419E-02 0.14376E-02 -0.23419E-02 0.11055E-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 1.35780769 1.35780769 1.35780769 -0.65765801 0.65187013 -0.00303871 energy density (per reference volume) = -0.2310348767 Kirchhoff stress 0.69803E-02 -0.39129E-03 0.12686E-02 -0.39129E-03 -0.41547E-02 -0.19010E-02 0.12686E-02 -0.19010E-02 0.76544E-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 1.35780769 1.35780769 1.35780769 -0.66080019 0.65709447 -0.00194556 energy density (per reference volume) = -0.2310993388 Kirchhoff stress 0.53680E-02 -0.25166E-03 0.10710E-02 -0.25166E-03 -0.35592E-02 -0.14781E-02 0.10710E-02 -0.14781E-02 0.48868E-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 1.35780769 1.35780769 1.35780769 -0.66448496 0.66239986 -0.00109471 energy density (per reference volume) = -0.2311496038 Kirchhoff stress 0.38622E-02 -0.14209E-03 0.84497E-03 -0.14209E-03 -0.28445E-02 -0.10749E-02 0.84497E-03 -0.10749E-02 0.27435E-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 1.35780769 1.35780769 1.35780769 -0.66872335 0.66779645 -0.00048664 energy density (per reference volume) = -0.2311855770 Kirchhoff stress 0.24645E-02 -0.63322E-04 0.59066E-03 -0.63322E-04 -0.20121E-02 -0.69317E-03 0.59066E-03 -0.69317E-03 0.12176E-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 1.35780769 1.35780769 1.35780769 -0.67352614 0.67329438 -0.00012168 energy density (per reference volume) = -0.2312071890 Kirchhoff stress 0.11765E-02 -0.15856E-04 0.30871E-03 -0.15856E-04 -0.10634E-02 -0.33438E-03 0.30871E-03 -0.33438E-03 0.30416E-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 1.35780769 1.35780769 1.35780769 -0.67890384 0.67890385 0.00000000 energy density (per reference volume) = -0.2312143977 Kirchhoff stress 0.67602E-11 0.40901E-10 0.31453E-08 0.40901E-10 0.67602E-11 -0.11389E-08 0.31453E-08 -0.11389E-08 0.67602E-11 * CB-KIM calculation successfully completed