---------------------------------------------------------------------------- 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_PRB39_1989_CSi__MO_171585019474_000 Match failed; removing process_d2Edr2 and trying again. Moduli calculation disabled. Preconditioning disabled in lattice parameter optimization. Match failed; removing process_dEdr and trying again. Maximum cut-off distance: 3.0000000000 **global parameter settings** Number of spatial dimensions = 3 Number of dofs per node = 3 Number of nodes per element = 4 Shuffles optimization = ACTIVATED Prefer multilattice stress correction = OFF Optimize F and shuffles concurrently = ACTIVATED Use preconditioned CG optimization = OFF **optimize lattice parameter** Input lattice vectors 0.0000000000000000 1.5000000000000000 1.5000000000000000 1.5000000000000000 0.0000000000000000 1.5000000000000000 1.5000000000000000 1.5000000000000000 0.0000000000000000 Input basis atom positions 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.7500000000000000 0.7500000000000000 0.7500000000000000 Relaxed lattice vectors 0.00000000000100398752 2.71600260199141096962 2.71600260199194787347 2.71600260198986731552 -0.00000000000053945528 2.71600260199194742938 2.71600260198986687143 2.71600260199141008144 -0.00000000000107609502 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 1.35800130095099569338 1.35800130100336224892 1.35800130102154259504 **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 1.35800130 1.35800130 1.35800130 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -0.2310747312 Kirchhoff stress 0.38196E-11 0.94070E-11 0.28609E-11 0.94070E-11 0.38196E-11 -0.16013E-10 0.28609E-11 -0.16013E-10 0.38195E-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 1.35800130 1.35800130 1.35800130 -0.00460667 0.00455735 -0.00009035 energy density (per reference volume) = -0.2310534851 Kirchhoff stress -0.20596E-02 -0.99347E-05 -0.21294E-02 -0.99347E-05 0.21306E-02 0.21772E-02 -0.21294E-02 0.21772E-02 -0.57463E-05 *** step number: 2 *** Deformation gradient in current step 0.99000000 -0.01000000 -0.01000000 0.01000000 1.01000000 0.01000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.00927095 0.00907311 -0.00036141 energy density (per reference volume) = -0.2309897963 Kirchhoff stress -0.40434E-02 -0.39735E-04 -0.42062E-02 -0.39735E-04 0.43270E-02 0.43972E-02 -0.42062E-02 0.43972E-02 -0.22816E-04 *** step number: 3 *** Deformation gradient in current step 0.98500000 -0.01500000 -0.01500000 0.01500000 1.01500000 0.01500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.01400166 0.01355436 -0.00081319 energy density (per reference volume) = -0.2308838125 Kirchhoff stress -0.59466E-02 -0.89391E-04 -0.62260E-02 -0.89391E-04 0.65842E-02 0.66547E-02 -0.62260E-02 0.66547E-02 -0.50706E-04 *** step number: 4 *** Deformation gradient in current step 0.98000000 -0.02000000 -0.02000000 0.02000000 1.02000000 0.02000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.01880801 0.01800747 -0.00144572 energy density (per reference volume) = -0.2307357778 Kirchhoff stress -0.77647E-02 -0.15888E-03 -0.81848E-02 -0.15888E-03 0.88972E-02 0.89444E-02 -0.81848E-02 0.89444E-02 -0.88601E-04 *** step number: 5 *** Deformation gradient in current step 0.97500000 -0.02500000 -0.02500000 0.02500000 1.02500000 0.02500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.02369951 0.02243809 -0.00225900 energy density (per reference volume) = -0.2305460283 Kirchhoff stress -0.94937E-02 -0.24817E-03 -0.10079E-01 -0.24817E-03 0.11261E-01 0.11261E-01 -0.10079E-01 0.11261E-01 -0.13539E-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 1.35800130 1.35800130 1.35800130 -0.02868588 0.02685112 -0.00325298 energy density (per reference volume) = -0.2303149882 Kirchhoff stress -0.11130E-01 -0.35720E-03 -0.11906E-01 -0.35720E-03 0.13670E-01 0.13599E-01 -0.11906E-01 0.13599E-01 -0.18973E-03 *** step number: 7 *** Deformation gradient in current step 0.96500000 -0.03500000 -0.03500000 0.03500000 1.03500000 0.03500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.03377692 0.03125073 -0.00442756 energy density (per reference volume) = -0.2300431632 Kirchhoff stress -0.12669E-01 -0.48590E-03 -0.13662E-01 -0.48590E-03 0.16121E-01 0.15953E-01 -0.13662E-01 0.15953E-01 -0.25004E-03 *** step number: 8 *** Deformation gradient in current step 0.96000000 -0.04000000 -0.04000000 0.04000000 1.04000000 0.04000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.03898250 0.03564039 -0.00578254 energy density (per reference volume) = -0.2297311340 Kirchhoff stress -0.14110E-01 -0.63414E-03 -0.15346E-01 -0.63414E-03 0.18610E-01 0.18318E-01 -0.15346E-01 0.18318E-01 -0.31461E-03 *** step number: 9 *** Deformation gradient in current step 0.95500000 -0.04500000 -0.04500000 0.04500000 1.04500000 0.04500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.04431227 0.04002290 -0.00731758 energy density (per reference volume) = -0.2293795485 Kirchhoff stress -0.15450E-01 -0.80177E-03 -0.16957E-01 -0.80177E-03 0.21131E-01 0.20689E-01 -0.16957E-01 0.20689E-01 -0.38159E-03 *** step number: 10 *** Deformation gradient in current step 0.95000000 -0.05000000 -0.05000000 0.05000000 1.05000000 0.05000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.04977582 0.04440056 -0.00903218 energy density (per reference volume) = -0.2289891136 Kirchhoff stress -0.16686E-01 -0.98860E-03 -0.18494E-01 -0.98860E-03 0.23681E-01 0.23061E-01 -0.18494E-01 0.23061E-01 -0.44909E-03 *** step number: 11 *** Deformation gradient in current step 0.94500000 -0.05500000 -0.05500000 0.05500000 1.05500000 0.05500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.05538235 0.04877493 -0.01092558 energy density (per reference volume) = -0.2285605870 Kirchhoff stress -0.17818E-01 -0.11944E-02 -0.19957E-01 -0.11944E-02 0.26258E-01 0.25429E-01 -0.19957E-01 0.25429E-01 -0.51519E-03 *** step number: 12 *** Deformation gradient in current step 0.94000000 -0.06000000 -0.06000000 0.06000000 1.06000000 0.06000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.06114071 0.05314753 -0.01299682 energy density (per reference volume) = -0.2280947685 Kirchhoff stress -0.18845E-01 -0.14187E-02 -0.21345E-01 -0.14187E-02 0.28858E-01 0.27789E-01 -0.21345E-01 0.27789E-01 -0.57800E-03 *** step number: 13 *** Deformation gradient in current step 0.93500000 -0.06500000 -0.06500000 0.06500000 1.06500000 0.06500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.06705953 0.05751922 -0.01524465 energy density (per reference volume) = -0.2275924913 Kirchhoff stress -0.19767E-01 -0.16614E-02 -0.22660E-01 -0.16614E-02 0.31479E-01 0.30138E-01 -0.22660E-01 0.30138E-01 -0.63569E-03 *** step number: 14 *** Deformation gradient in current step 0.93000000 -0.07000000 -0.07000000 0.07000000 1.07000000 0.07000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.07314658 0.06189091 -0.01766739 energy density (per reference volume) = -0.2270546139 Kirchhoff stress -0.20584E-01 -0.19219E-02 -0.23904E-01 -0.19219E-02 0.34118E-01 0.32471E-01 -0.23904E-01 0.32471E-01 -0.68653E-03 *** step number: 15 *** Deformation gradient in current step 0.92500000 -0.07500000 -0.07500000 0.07500000 1.07500000 0.07500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.07940925 0.06626326 -0.02026310 energy density (per reference volume) = -0.2264820119 Kirchhoff stress -0.21298E-01 -0.21998E-02 -0.25077E-01 -0.21998E-02 0.36774E-01 0.34785E-01 -0.25077E-01 0.34785E-01 -0.72893E-03 *** step number: 16 *** Deformation gradient in current step 0.92000000 -0.08000000 -0.08000000 0.08000000 1.08000000 0.08000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.08585430 0.07063699 -0.02302933 energy density (per reference volume) = -0.2258755702 Kirchhoff stress -0.21910E-01 -0.24946E-02 -0.26183E-01 -0.24946E-02 0.39444E-01 0.37077E-01 -0.26183E-01 0.37077E-01 -0.76140E-03 *** step number: 17 *** Deformation gradient in current step 0.91500000 -0.08500000 -0.08500000 0.08500000 1.08500000 0.08500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.09248769 0.07501290 -0.02596319 energy density (per reference volume) = -0.2252361765 Kirchhoff stress -0.22421E-01 -0.28056E-02 -0.27223E-01 -0.28056E-02 0.42128E-01 0.39343E-01 -0.27223E-01 0.39343E-01 -0.78268E-03 *** step number: 18 *** Deformation gradient in current step 0.91000000 -0.09000000 -0.09000000 0.09000000 1.09000000 0.09000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.09931457 0.07939206 -0.02906137 energy density (per reference volume) = -0.2245647139 Kirchhoff stress -0.22834E-01 -0.31325E-02 -0.28200E-01 -0.31325E-02 0.44825E-01 0.41582E-01 -0.28200E-01 0.41582E-01 -0.79162E-03 *** step number: 19 *** Deformation gradient in current step 0.90500000 -0.09500000 -0.09500000 0.09500000 1.09500000 0.09500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.10633964 0.08377549 -0.03231997 energy density (per reference volume) = -0.2238620561 Kirchhoff stress -0.23152E-01 -0.34745E-02 -0.29118E-01 -0.34745E-02 0.47533E-01 0.43790E-01 -0.29118E-01 0.43790E-01 -0.78730E-03 *** step number: 20 *** Deformation gradient in current step 0.90000000 -0.10000000 -0.10000000 0.10000000 1.10000000 0.10000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.11356604 0.08816506 -0.03573448 energy density (per reference volume) = -0.2231290613 Kirchhoff stress -0.23379E-01 -0.38310E-02 -0.29979E-01 -0.38310E-02 0.50252E-01 0.45966E-01 -0.29979E-01 0.45966E-01 -0.76900E-03 *** step number: 21 *** Deformation gradient in current step 0.89500000 -0.10500000 -0.10500000 0.10500000 1.10500000 0.10500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.12099642 0.09256271 -0.03930002 energy density (per reference volume) = -0.2223665684 Kirchhoff stress -0.23517E-01 -0.42017E-02 -0.30787E-01 -0.42017E-02 0.52981E-01 0.48109E-01 -0.30787E-01 0.48109E-01 -0.73618E-03 *** step number: 22 *** Deformation gradient in current step 0.89000000 -0.11000000 -0.11000000 0.11000000 1.11000000 0.11000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.12863228 0.09697085 -0.04301085 energy density (per reference volume) = -0.2215753931 Kirchhoff stress -0.23571E-01 -0.45858E-02 -0.31545E-01 -0.45858E-02 0.55719E-01 0.50215E-01 -0.31545E-01 0.50215E-01 -0.68855E-03 *** step number: 23 *** Deformation gradient in current step 0.88500000 -0.11500000 -0.11500000 0.11500000 1.11500000 0.11500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.13647407 0.10139266 -0.04686085 energy density (per reference volume) = -0.2207563250 Kirchhoff stress -0.23545E-01 -0.49830E-02 -0.32257E-01 -0.49830E-02 0.58465E-01 0.52285E-01 -0.32257E-01 0.52285E-01 -0.62598E-03 *** step number: 24 *** Deformation gradient in current step 0.88000000 -0.12000000 -0.12000000 0.12000000 1.12000000 0.12000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.14452109 0.10583155 -0.05084294 energy density (per reference volume) = -0.2199101260 Kirchhoff stress -0.23443E-01 -0.53929E-02 -0.32925E-01 -0.53929E-02 0.61218E-01 0.54317E-01 -0.32925E-01 0.54317E-01 -0.54863E-03 *** step number: 25 *** Deformation gradient in current step 0.87500000 -0.12500000 -0.12500000 0.12500000 1.12500000 0.12500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.15277142 0.11029178 -0.05494949 energy density (per reference volume) = -0.2190375287 Kirchhoff stress -0.23270E-01 -0.58151E-02 -0.33554E-01 -0.58151E-02 0.63978E-01 0.56310E-01 -0.33554E-01 0.56310E-01 -0.45685E-03 *** step number: 26 *** Deformation gradient in current step 0.87000000 -0.13000000 -0.13000000 0.13000000 1.13000000 0.13000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.16122217 0.11477817 -0.05917220 energy density (per reference volume) = -0.2181392361 Kirchhoff stress -0.23032E-01 -0.62495E-02 -0.34147E-01 -0.62495E-02 0.66742E-01 0.58262E-01 -0.34147E-01 0.58262E-01 -0.35120E-03 *** step number: 27 *** Deformation gradient in current step 0.86500000 -0.13500000 -0.13500000 0.13500000 1.13500000 0.13500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.16986884 0.11929633 -0.06350178 energy density (per reference volume) = -0.2172159223 Kirchhoff stress -0.22732E-01 -0.66959E-02 -0.34707E-01 -0.66959E-02 0.69508E-01 0.60175E-01 -0.34707E-01 0.60175E-01 -0.23253E-03 *** step number: 28 *** Deformation gradient in current step 0.86000000 -0.14000000 -0.14000000 0.14000000 1.14000000 0.14000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.17870596 0.12385235 -0.06792832 energy density (per reference volume) = -0.2162682340 Kirchhoff stress -0.22376E-01 -0.71544E-02 -0.35236E-01 -0.71544E-02 0.72275E-01 0.62046E-01 -0.35236E-01 0.62046E-01 -0.10188E-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 1.35800130 1.35800130 1.35800130 -0.18772655 0.12845345 -0.07244086 energy density (per reference volume) = -0.2152967924 Kirchhoff stress -0.21970E-01 -0.76250E-02 -0.35739E-01 -0.76250E-02 0.75040E-01 0.63875E-01 -0.35739E-01 0.63875E-01 0.39467E-04 *** 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 1.35800130 1.35800130 1.35800130 -0.19692248 0.13310754 -0.07702742 energy density (per reference volume) = -0.2143021968 Kirchhoff stress -0.21518E-01 -0.81080E-02 -0.36217E-01 -0.81080E-02 0.77799E-01 0.65662E-01 -0.36217E-01 0.65662E-01 0.19000E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.20628402 0.13782339 -0.08167511 energy density (per reference volume) = -0.2132850280 Kirchhoff stress -0.21027E-01 -0.86038E-02 -0.36673E-01 -0.86038E-02 0.80548E-01 0.67405E-01 -0.36673E-01 0.67405E-01 0.34798E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.21580029 0.14261065 -0.08636987 energy density (per reference volume) = -0.2122458537 Kirchhoff stress -0.20501E-01 -0.91126E-02 -0.37109E-01 -0.91126E-02 0.83282E-01 0.69106E-01 -0.37109E-01 0.69106E-01 0.51144E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.22545881 0.14748028 -0.09109621 energy density (per reference volume) = -0.2111852338 Kirchhoff stress -0.19945E-01 -0.96352E-02 -0.37527E-01 -0.96352E-02 0.85997E-01 0.70762E-01 -0.37527E-01 0.70762E-01 0.67822E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.23524567 0.15244422 -0.09583730 energy density (per reference volume) = -0.2101037269 Kirchhoff stress -0.19366E-01 -0.10172E-01 -0.37928E-01 -0.10172E-01 0.88684E-01 0.72374E-01 -0.37928E-01 0.72374E-01 0.84593E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.24514561 0.15751558 -0.10057472 energy density (per reference volume) = -0.2090018981 Kirchhoff stress -0.18768E-01 -0.10724E-01 -0.38314E-01 -0.10724E-01 0.91339E-01 0.73939E-01 -0.38314E-01 0.73939E-01 0.10120E-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 1.35800130 1.35800130 1.35800130 -0.25514154 0.16270904 -0.10528816 energy density (per reference volume) = -0.2078803266 Kirchhoff stress -0.18156E-01 -0.11291E-01 -0.38685E-01 -0.11291E-01 0.93950E-01 0.75458E-01 -0.38685E-01 0.75458E-01 0.11737E-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 1.35800130 1.35800130 1.35800130 -0.26521476 0.16804063 -0.10995525 energy density (per reference volume) = -0.2067396156 Kirchhoff stress -0.17536E-01 -0.11875E-01 -0.39041E-01 -0.11875E-01 0.96509E-01 0.76928E-01 -0.39041E-01 0.76928E-01 0.13280E-02 *** step number: 38 *** Deformation gradient in current step 0.81000000 -0.19000000 -0.19000000 0.19000000 1.19000000 0.19000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.27534495 0.17352812 -0.11455134 energy density (per reference volume) = -0.2055804018 Kirchhoff stress -0.16912E-01 -0.12476E-01 -0.39383E-01 -0.12476E-01 0.99005E-01 0.78348E-01 -0.39383E-01 0.78348E-01 0.14718E-02 *** step number: 39 *** Deformation gradient in current step 0.80500000 -0.19500000 -0.19500000 0.19500000 1.19500000 0.19500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.28550994 0.17919123 -0.11904953 energy density (per reference volume) = -0.2044033669 Kirchhoff stress -0.16290E-01 -0.13095E-01 -0.39709E-01 -0.13095E-01 0.10143E+00 0.79717E-01 -0.39709E-01 0.79717E-01 0.16019E-02 *** step number: 40 *** Deformation gradient in current step 0.80000000 -0.20000000 -0.20000000 0.20000000 1.20000000 0.20000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.29568489 0.18505127 -0.12341888 energy density (per reference volume) = -0.2032092502 Kirchhoff stress -0.15674E-01 -0.13732E-01 -0.40018E-01 -0.13732E-01 0.10376E+00 0.81032E-01 -0.40018E-01 0.81032E-01 0.17147E-02 *** step number: 41 *** Deformation gradient in current step 0.79500000 -0.20500000 -0.20500000 0.20500000 1.20500000 0.20500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.30584328 0.19113206 -0.12762625 energy density (per reference volume) = -0.2019988620 Kirchhoff stress -0.15070E-01 -0.14388E-01 -0.40308E-01 -0.14388E-01 0.10598E+00 0.82290E-01 -0.40308E-01 0.82290E-01 0.18064E-02 *** step number: 42 *** Deformation gradient in current step 0.79000000 -0.21000000 -0.21000000 0.21000000 1.21000000 0.21000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.31595557 0.19745944 -0.13163399 energy density (per reference volume) = -0.2007730986 Kirchhoff stress -0.14482E-01 -0.15063E-01 -0.40577E-01 -0.15063E-01 0.10808E+00 0.83489E-01 -0.40577E-01 0.83489E-01 0.18731E-02 *** step number: 43 *** Deformation gradient in current step 0.78500000 -0.21500000 -0.21500000 0.21500000 1.21500000 0.21500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.32598936 0.20406189 -0.13540040 energy density (per reference volume) = -0.1995329598 Kirchhoff stress -0.13915E-01 -0.15758E-01 -0.40821E-01 -0.15758E-01 0.11003E+00 0.84624E-01 -0.40821E-01 0.84624E-01 0.19105E-02 *** step number: 44 *** Deformation gradient in current step 0.78000000 -0.22000000 -0.22000000 0.22000000 1.22000000 0.22000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.33752710 0.20876384 -0.14127209 energy density (per reference volume) = -0.1982784073 Kirchhoff stress -0.13076E-01 -0.16401E-01 -0.41334E-01 -0.16401E-01 0.11330E+00 0.86101E-01 -0.41334E-01 0.86101E-01 0.22697E-02 *** step number: 45 *** Deformation gradient in current step 0.77500000 -0.22500000 -0.22500000 0.22500000 1.22500000 0.22500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.35390357 0.20679374 -0.15447761 energy density (per reference volume) = -0.1969844058 Kirchhoff stress -0.11394E-01 -0.16851E-01 -0.42740E-01 -0.16851E-01 0.12091E+00 0.88718E-01 -0.42740E-01 0.88718E-01 0.35898E-02 *** step number: 46 *** Deformation gradient in current step 0.77000000 -0.23000000 -0.23000000 0.23000000 1.23000000 0.23000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.37016139 0.20475417 -0.16790325 energy density (per reference volume) = -0.1956412130 Kirchhoff stress -0.98228E-02 -0.17327E-01 -0.44138E-01 -0.17327E-01 0.12833E+00 0.91184E-01 -0.44138E-01 0.91184E-01 0.47196E-02 *** step number: 47 *** Deformation gradient in current step 0.76500000 -0.23500000 -0.23500000 0.23500000 1.23500000 0.23500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.38626619 0.20265245 -0.18155580 energy density (per reference volume) = -0.1942501814 Kirchhoff stress -0.83655E-02 -0.17824E-01 -0.45514E-01 -0.17824E-01 0.13552E+00 0.93485E-01 -0.45514E-01 0.93485E-01 0.56506E-02 *** step number: 48 *** Deformation gradient in current step 0.76000000 -0.24000000 -0.24000000 0.24000000 1.24000000 0.24000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.40218956 0.20049722 -0.19544195 energy density (per reference volume) = -0.1928129551 Kirchhoff stress -0.70241E-02 -0.18338E-01 -0.46859E-01 -0.18338E-01 0.14245E+00 0.95605E-01 -0.46859E-01 0.95605E-01 0.63763E-02 *** step number: 49 *** Deformation gradient in current step 0.75500000 -0.24500000 -0.24500000 0.24500000 1.24500000 0.24500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.41790012 0.19829681 -0.20956932 energy density (per reference volume) = -0.1913314666 Kirchhoff stress -0.58002E-02 -0.18866E-01 -0.48160E-01 -0.18866E-01 0.14909E+00 0.97532E-01 -0.48160E-01 0.97532E-01 0.68908E-02 *** step number: 50 *** Deformation gradient in current step 0.75000000 -0.25000000 -0.25000000 0.25000000 1.25000000 0.25000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.75526139 0.31969447 -0.35634339 energy density (per reference volume) = -0.2075303168 Kirchhoff stress 0.99328E-01 -0.29913E-01 0.24693E-01 -0.29913E-01 0.99328E-01 0.24693E-01 0.24693E-01 0.24693E-01 0.28467E-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 1.35800130 1.35800130 1.35800130 -0.75866773 0.31123262 -0.36305185 energy density (per reference volume) = -0.2074628100 Kirchhoff stress 0.94776E-01 -0.30028E-01 0.19844E-01 -0.30028E-01 0.10962E+00 0.30226E-01 0.19844E-01 0.30226E-01 0.29848E-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 1.35800130 1.35800130 1.35800130 -0.76501639 0.30406140 -0.37148401 energy density (per reference volume) = -0.2072798655 Kirchhoff stress 0.91135E-01 -0.30214E-01 0.15525E-01 -0.30214E-01 0.11936E+00 0.35160E-01 0.15525E-01 0.35160E-01 0.31077E-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 1.35800130 1.35800130 1.35800130 -0.77022655 0.29685449 -0.38024471 energy density (per reference volume) = -0.2069851496 Kirchhoff stress 0.87085E-01 -0.30424E-01 0.11253E-01 -0.30424E-01 0.12847E+00 0.39788E-01 0.11253E-01 0.39788E-01 0.31783E-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 1.35800130 1.35800130 1.35800130 -0.77438984 0.28965744 -0.38939249 energy density (per reference volume) = -0.2065818246 Kirchhoff stress 0.82660E-01 -0.30641E-01 0.70411E-02 -0.30641E-01 0.13690E+00 0.44092E-01 0.70411E-02 0.44092E-01 0.31974E-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 1.35800130 1.35800130 1.35800130 -0.79186151 0.28082853 -0.38488012 energy density (per reference volume) = -0.2059987211 Kirchhoff stress 0.82416E-01 -0.36051E-01 -0.56838E-02 -0.36051E-01 0.16871E+00 0.60463E-01 -0.56838E-02 0.60463E-01 0.42133E-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 1.35800130 1.35800130 1.35800130 -0.81291254 0.27129940 -0.37536535 energy density (per reference volume) = -0.2050459535 Kirchhoff stress 0.83180E-01 -0.44178E-01 -0.21534E-01 -0.44178E-01 0.20889E+00 0.81614E-01 -0.21534E-01 0.81614E-01 0.55471E-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 1.35800130 1.35800130 1.35800130 -0.83237616 0.26186366 -0.36606829 energy density (per reference volume) = -0.2037090407 Kirchhoff stress 0.83471E-01 -0.53216E-01 -0.37409E-01 -0.53216E-01 0.24887E+00 0.10311E+00 -0.37409E-01 0.10311E+00 0.68273E-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 1.35800130 1.35800130 1.35800130 -0.84995709 0.25278948 -0.35752194 energy density (per reference volume) = -0.2019880413 Kirchhoff stress 0.83446E-01 -0.62941E-01 -0.53061E-01 -0.62941E-01 0.28806E+00 0.12454E+00 -0.53061E-01 0.12454E+00 0.80400E-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 1.35800130 1.35800130 1.35800130 -0.86518535 0.24436128 -0.35045770 energy density (per reference volume) = -0.1998917113 Kirchhoff stress 0.83283E-01 -0.72991E-01 -0.68100E-01 -0.72991E-01 0.32553E+00 0.14525E+00 -0.68100E-01 0.14525E+00 0.91629E-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 1.35800130 1.35800130 1.35800130 -0.87732057 0.23687828 -0.34612211 energy density (per reference volume) = -0.1974429036 Kirchhoff stress 0.83216E-01 -0.82747E-01 -0.81863E-01 -0.82747E-01 0.35959E+00 0.16413E+00 -0.81863E-01 0.16413E+00 0.10158E+00 *** step number: 61 *** Deformation gradient in current step 0.69500000 -0.30500000 -0.30500000 0.30500000 1.30500000 0.30500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.88473914 0.23066568 -0.34792813 energy density (per reference volume) = -0.1946927719 Kirchhoff stress 0.83701E-01 -0.90754E-01 -0.92742E-01 -0.90754E-01 0.38595E+00 0.17848E+00 -0.92742E-01 0.17848E+00 0.10930E+00 *** step number: 62 *** Deformation gradient in current step 0.69000000 -0.31000000 -0.31000000 0.31000000 1.31000000 0.31000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.76736636 0.16636640 -0.71426042 energy density (per reference volume) = -0.2004407718 Kirchhoff stress 0.10655E+00 0.85260E-02 0.51927E-01 0.85260E-02 0.78542E-01 -0.28466E-01 0.51927E-01 -0.28466E-01 0.15628E-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 1.35800130 1.35800130 1.35800130 -0.76520750 0.16270603 -0.72292408 energy density (per reference volume) = -0.2009553512 Kirchhoff stress 0.10214E+00 0.95698E-02 0.50462E-01 0.95698E-02 0.82831E-01 -0.27640E-01 0.50462E-01 -0.27640E-01 0.14680E-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 1.35800130 1.35800130 1.35800130 -0.76258530 0.15899848 -0.73143920 energy density (per reference volume) = -0.2014146080 Kirchhoff stress 0.97648E-01 0.10540E-01 0.48939E-01 0.10540E-01 0.87125E-01 -0.26813E-01 0.48939E-01 -0.26813E-01 0.13666E-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 1.35800130 1.35800130 1.35800130 -0.75951738 0.15524751 -0.73981078 energy density (per reference volume) = -0.2018179046 Kirchhoff stress 0.93099E-01 0.11438E-01 0.47359E-01 0.11438E-01 0.91418E-01 -0.25986E-01 0.47359E-01 -0.25986E-01 0.12589E-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 1.35800130 1.35800130 1.35800130 -0.75601879 0.15145566 -0.74804240 energy density (per reference volume) = -0.2021646999 Kirchhoff stress 0.88500E-01 0.12262E-01 0.45726E-01 0.12262E-01 0.95707E-01 -0.25159E-01 0.45726E-01 -0.25159E-01 0.11450E-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 1.35800130 1.35800130 1.35800130 -0.75210246 0.14762463 -0.75613641 energy density (per reference volume) = -0.2024545455 Kirchhoff stress 0.83862E-01 0.13012E-01 0.44040E-01 0.13012E-01 0.99986E-01 -0.24332E-01 0.44040E-01 -0.24332E-01 0.10251E-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 1.35800130 1.35800130 1.35800130 -0.74777957 0.14375530 -0.76409419 energy density (per reference volume) = -0.2026870826 Kirchhoff stress 0.79196E-01 0.13688E-01 0.42306E-01 0.13688E-01 0.10425E+00 -0.23506E-01 0.42306E-01 -0.23506E-01 0.89937E-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 1.35800130 1.35800130 1.35800130 -0.74305985 0.13984823 -0.77191622 energy density (per reference volume) = -0.2028620390 Kirchhoff stress 0.74512E-01 0.14291E-01 0.40525E-01 0.14291E-01 0.10850E+00 -0.22681E-01 0.40525E-01 -0.22681E-01 0.76807E-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 1.35800130 1.35800130 1.35800130 -0.73795179 0.13590333 -0.77960242 energy density (per reference volume) = -0.2029792262 Kirchhoff stress 0.69818E-01 0.14821E-01 0.38701E-01 0.14821E-01 0.11272E+00 -0.21857E-01 0.38701E-01 -0.21857E-01 0.63138E-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 1.35800130 1.35800130 1.35800130 -0.73246287 0.13192044 -0.78715197 energy density (per reference volume) = -0.2030385366 Kirchhoff stress 0.65124E-01 0.15278E-01 0.36836E-01 0.15278E-01 0.11692E+00 -0.21035E-01 0.36836E-01 -0.21035E-01 0.48950E-02 *** step number: 72 *** Deformation gradient in current step 0.64000000 -0.36000000 -0.36000000 0.36000000 1.36000000 0.36000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.72659985 0.12789878 -0.79456416 energy density (per reference volume) = -0.2030399412 Kirchhoff stress 0.60438E-01 0.15663E-01 0.34933E-01 0.15663E-01 0.12109E+00 -0.20213E-01 0.34933E-01 -0.20213E-01 0.34269E-02 *** step number: 73 *** Deformation gradient in current step 0.63500000 -0.36500000 -0.36500000 0.36500000 1.36500000 0.36500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.72036828 0.12383779 -0.80183738 energy density (per reference volume) = -0.2029834871 Kirchhoff stress 0.55769E-01 0.15975E-01 0.32995E-01 0.15975E-01 0.12523E+00 -0.19394E-01 0.32995E-01 -0.19394E-01 0.19116E-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 1.35800130 1.35800130 1.35800130 -0.71377372 0.11973648 -0.80897043 energy density (per reference volume) = -0.2028692952 Kirchhoff stress 0.51123E-01 0.16216E-01 0.31025E-01 0.16216E-01 0.12932E+00 -0.18576E-01 0.31025E-01 -0.18576E-01 0.35167E-03 *** step number: 75 *** Deformation gradient in current step 0.62500000 -0.37500000 -0.37500000 0.37500000 1.37500000 0.37500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.70682069 0.11559393 -0.81596151 energy density (per reference volume) = -0.2026975588 Kirchhoff stress 0.46507E-01 0.16386E-01 0.29026E-01 0.16386E-01 0.13338E+00 -0.17759E-01 0.29026E-01 -0.17759E-01 -0.12502E-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 1.35800130 1.35800130 1.35800130 -0.69951335 0.11140916 -0.82280915 energy density (per reference volume) = -0.2024685413 Kirchhoff stress 0.41928E-01 0.16486E-01 0.27001E-01 0.16486E-01 0.13739E+00 -0.16945E-01 0.27001E-01 -0.16945E-01 -0.28913E-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 1.35800130 1.35800130 1.35800130 -0.69185530 0.10718116 -0.82951178 energy density (per reference volume) = -0.2021825752 Kirchhoff stress 0.37393E-01 0.16515E-01 0.24955E-01 0.16515E-01 0.14134E+00 -0.16133E-01 0.24955E-01 -0.16133E-01 -0.45686E-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 1.35800130 1.35800130 1.35800130 -0.68384965 0.10290895 -0.83606799 energy density (per reference volume) = -0.2018400605 Kirchhoff stress 0.32906E-01 0.16476E-01 0.22889E-01 0.16476E-01 0.14525E+00 -0.15323E-01 0.22889E-01 -0.15323E-01 -0.62792E-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 1.35800130 1.35800130 1.35800130 -0.67549910 0.09859152 -0.84247635 energy density (per reference volume) = -0.2014414643 Kirchhoff stress 0.28474E-01 0.16368E-01 0.20807E-01 0.16368E-01 0.14909E+00 -0.14517E-01 0.20807E-01 -0.14517E-01 -0.80198E-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 1.35800130 1.35800130 1.35800130 -0.66680559 0.09422812 -0.84873599 energy density (per reference volume) = -0.2009873194 Kirchhoff stress 0.24101E-01 0.16192E-01 0.18713E-01 0.16192E-01 0.15287E+00 -0.13713E-01 0.18713E-01 -0.13713E-01 -0.97869E-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 1.35800130 1.35800130 1.35800130 -0.65777072 0.08981792 -0.85484583 energy density (per reference volume) = -0.2004782241 Kirchhoff stress 0.19792E-01 0.15948E-01 0.16611E-01 0.15948E-01 0.15659E+00 -0.12913E-01 0.16611E-01 -0.12913E-01 -0.11577E-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 1.35800130 1.35800130 1.35800130 -0.64839560 0.08536015 -0.86080498 energy density (per reference volume) = -0.1999148417 Kirchhoff stress 0.15553E-01 0.15639E-01 0.14504E-01 0.15639E-01 0.16023E+00 -0.12118E-01 0.14504E-01 -0.12118E-01 -0.13387E-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 1.35800130 1.35800130 1.35800130 -0.63868056 0.08085431 -0.86661295 energy density (per reference volume) = -0.1992979005 Kirchhoff stress 0.11386E-01 0.15263E-01 0.12396E-01 0.15263E-01 0.16380E+00 -0.11328E-01 0.12396E-01 -0.11328E-01 -0.15212E-01 *** 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 1.35800130 1.35800130 1.35800130 -0.62862526 0.07629992 -0.87226926 energy density (per reference volume) = -0.1986281938 Kirchhoff stress 0.72973E-02 0.14823E-01 0.10290E-01 0.14823E-01 0.16729E+00 -0.10544E-01 0.10290E-01 -0.10544E-01 -0.17049E-01 *** step number: 85 *** Deformation gradient in current step 0.57500000 -0.42500000 -0.42500000 0.42500000 1.42500000 0.42500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.61822883 0.07169695 -0.87777385 energy density (per reference volume) = -0.1979065795 Kirchhoff stress 0.32899E-02 0.14318E-01 0.81904E-02 0.14318E-01 0.17070E+00 -0.97666E-02 0.81904E-02 -0.97666E-02 -0.18893E-01 *** step number: 86 *** Deformation gradient in current step 0.57000000 -0.43000000 -0.43000000 0.43000000 1.43000000 0.43000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.60748906 0.06704542 -0.88312657 energy density (per reference volume) = -0.1971339809 Kirchhoff stress -0.63201E-03 0.13751E-01 0.61010E-02 0.13751E-01 0.17402E+00 -0.89974E-02 0.61010E-02 -0.89974E-02 -0.20741E-01 *** step number: 87 *** Deformation gradient in current step 0.56500000 -0.43500000 -0.43500000 0.43500000 1.43500000 0.43500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.59640351 0.06234584 -0.88832755 energy density (per reference volume) = -0.1963113864 Kirchhoff stress -0.44646E-02 0.13121E-01 0.40256E-02 0.13121E-01 0.17725E+00 -0.82375E-02 0.40256E-02 -0.82375E-02 -0.22587E-01 *** step number: 88 *** Deformation gradient in current step 0.56000000 -0.44000000 -0.44000000 0.44000000 1.44000000 0.44000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.58496829 0.05759912 -0.89337699 energy density (per reference volume) = -0.1954398498 Kirchhoff stress -0.82040E-02 0.12430E-01 0.19681E-02 0.12430E-01 0.18038E+00 -0.74880E-02 0.19681E-02 -0.74880E-02 -0.24428E-01 *** step number: 89 *** Deformation gradient in current step 0.55500000 -0.44500000 -0.44500000 0.44500000 1.44500000 0.44500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.57317842 0.05280686 -0.89827518 energy density (per reference volume) = -0.1945204904 Kirchhoff stress -0.11847E-01 0.11679E-01 -0.67601E-04 0.11679E-01 0.18341E+00 -0.67505E-02 -0.67601E-04 -0.67505E-02 -0.26260E-01 *** step number: 90 *** Deformation gradient in current step 0.55000000 -0.45000000 -0.45000000 0.45000000 1.45000000 0.45000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.56102678 0.04797153 -0.90302240 energy density (per reference volume) = -0.1935544931 Kirchhoff stress -0.15388E-01 0.10869E-01 -0.20776E-02 0.10869E-01 0.18634E+00 -0.60265E-02 -0.20776E-02 -0.60265E-02 -0.28077E-01 *** step number: 91 *** Deformation gradient in current step 0.54500000 -0.45500000 -0.45500000 0.45500000 1.45500000 0.45500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.54850753 0.04309659 -0.90761920 energy density (per reference volume) = -0.1925431082 Kirchhoff stress -0.18826E-01 0.10003E-01 -0.40580E-02 0.10003E-01 0.18916E+00 -0.53178E-02 -0.40580E-02 -0.53178E-02 -0.29875E-01 *** step number: 92 *** Deformation gradient in current step 0.54000000 -0.46000000 -0.46000000 0.46000000 1.46000000 0.46000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.53383993 0.03976270 -0.91219798 energy density (per reference volume) = -0.1914873332 Kirchhoff stress -0.22060E-01 0.91815E-02 -0.60040E-02 0.91815E-02 0.19239E+00 -0.46559E-02 -0.60040E-02 -0.46559E-02 -0.31536E-01 *** step number: 93 *** Deformation gradient in current step 0.53500000 -0.46500000 -0.46500000 0.46500000 1.46500000 0.46500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.50927881 0.03636568 -0.92501167 energy density (per reference volume) = -0.1903524282 Kirchhoff stress -0.20419E-01 0.91348E-02 -0.77876E-02 0.91348E-02 0.22222E+00 -0.41173E-02 -0.77876E-02 -0.41173E-02 -0.29327E-01 *** step number: 94 *** Deformation gradient in current step 0.53000000 -0.47000000 -0.47000000 0.47000000 1.47000000 0.47000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.48077817 0.03085026 -0.94277614 energy density (per reference volume) = -0.1890053904 Kirchhoff stress -0.16006E-01 0.92087E-02 -0.94835E-02 0.92087E-02 0.27130E+00 -0.35679E-02 -0.94835E-02 -0.35679E-02 -0.24698E-01 *** step number: 95 *** Deformation gradient in current step 0.52500000 -0.47500000 -0.47500000 0.47500000 1.47500000 0.47500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.45211709 0.02537799 -0.96037690 energy density (per reference volume) = -0.1874129546 Kirchhoff stress -0.11772E-01 0.89128E-02 -0.11166E-01 0.89128E-02 0.32451E+00 -0.29837E-02 -0.11166E-01 -0.29837E-02 -0.19903E-01 *** 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 1.35800130 1.35800130 1.35800130 -0.42357716 0.01999139 -0.97769400 energy density (per reference volume) = -0.1855536247 Kirchhoff stress -0.77892E-02 0.81890E-02 -0.12827E-01 0.81890E-02 0.38171E+00 -0.23754E-02 -0.12827E-01 -0.23754E-02 -0.14993E-01 *** 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 1.35800130 1.35800130 1.35800130 -0.39549131 0.01473303 -0.99456495 energy density (per reference volume) = -0.1834068304 Kirchhoff stress -0.41281E-02 0.69796E-02 -0.14464E-01 0.69796E-02 0.44255E+00 -0.17561E-02 -0.14464E-01 -0.17561E-02 -0.10032E-01 *** 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 1.35800130 1.35800130 1.35800130 -0.36823448 0.00963929 -1.01078144 energy density (per reference volume) = -0.1809542141 Kirchhoff stress -0.84927E-03 0.52328E-02 -0.16078E-01 0.52328E-02 0.50636E+00 -0.11407E-02 -0.16078E-01 -0.11407E-02 -0.50957E-02 *** step number: 99 *** Deformation gradient in current step 0.50500000 -0.49500000 -0.49500000 0.49500000 1.49500000 0.49500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35800130 1.35800130 1.35800130 -0.34220738 0.00473177 -1.02609059 energy density (per reference volume) = -0.1781813794 Kirchhoff stress 0.19984E-02 0.29104E-02 -0.17677E-01 0.29104E-02 0.57214E+00 -0.54733E-03 -0.17677E-01 -0.54733E-03 -0.26225E-03 *** 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 1.35800130 1.35800130 1.35800130 -0.31780140 -0.00000000 -1.04019990 energy density (per reference volume) = -0.1750800911 Kirchhoff stress 0.43846E-02 0.11435E-08 -0.19272E-01 0.11435E-08 0.63836E+00 -0.11436E-08 -0.19272E-01 -0.11436E-08 0.43846E-02 * CB-KIM calculation successfully completed