---------------------------------------------------------------------------- c a u c h y - b o r n c o n s t i t u t i v e m o d e l This program computes the finite deformation constitutive response of an arbitrary multilattice single crystal. The code is based on the local quasicontinuum (QC) method (http://qcmethod.org). The program uses interatomic potentials compatible with the Knowledgebase of Interatomic Models (KIM) project (https://openkim.org). Copyright (C) 2015 E. B. Tadmor ---------------------------------------------------------------------------- Test calculation: Lattice invariance shear of cubic crystal **setting factor** * Default globaltol set to 0.10000E-15 CG global tolerance = 0.10000E-15 **reading material data** Material name 'Si(diamond)' material information Bravais lattice vectors: a1 = 0.00000 1.50000 1.50000 a2 = 1.50000 0.00000 1.50000 a3 = 1.50000 1.50000 0.00000 Basis atoms: Number of basis atoms = 2 spec mass reference shift vector 14 1.00 0.00000 0.00000 0.00000 14 1.00 0.75000 0.75000 0.75000 **reading constitutive information** * Error: at line 169 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion * Error: at line 208 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion KIM Model name: Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_001 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: 2.9600000000 **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 2.71443873284637593457 2.71443873284637593457 2.71443873284637593457 0.00000000000000000000 2.71443873284637593457 2.71443873284637504639 2.71443873284637504639 0.00000000000000000000 Relaxed basis atom positions 0.00000000000000000000 0.00000000000000000000 0.00000000000000000000 1.35721936642318796729 1.35721936642318796729 1.35721936642318752320 **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 1.35721937 1.35721937 1.35721937 0.00000000 0.00000000 0.00000000 energy density (per reference volume) = -0.2314153324 Kirchhoff stress -0.95199E-15 -0.20816E-17 0.27408E-16 -0.20816E-17 -0.95616E-15 0.18388E-16 0.27408E-16 0.18388E-16 -0.11574E-14 *** 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 1.35721937 1.35721937 1.35721937 -0.00376467 0.00360842 -0.00009484 energy density (per reference volume) = -0.2313895032 Kirchhoff stress -0.32370E-02 -0.29776E-04 -0.19098E-02 -0.29776E-04 0.33235E-02 0.18568E-02 -0.19098E-02 0.18568E-02 -0.45891E-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 1.35721937 1.35721937 1.35721937 -0.00770326 0.00707810 -0.00037934 energy density (per reference volume) = -0.2313121512 Kirchhoff stress -0.63721E-02 -0.11873E-03 -0.38607E-02 -0.11873E-03 0.67181E-02 0.36493E-02 -0.38607E-02 0.36493E-02 -0.18274E-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 1.35721937 1.35721937 1.35721937 -0.01183356 0.01042627 -0.00085341 energy density (per reference volume) = -0.2311836815 Kirchhoff stress -0.93900E-02 -0.26573E-03 -0.58400E-02 -0.26573E-03 0.10169E-01 0.53668E-02 -0.58400E-02 0.53668E-02 -0.40808E-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 1.35721937 1.35721937 1.35721937 -0.01617330 0.01366979 -0.00151688 energy density (per reference volume) = -0.2310047638 Kirchhoff stress -0.12276E-01 -0.46891E-03 -0.78349E-02 -0.46891E-03 0.13660E-01 0.69997E-02 -0.78349E-02 0.69997E-02 -0.71785E-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 1.35721937 1.35721937 1.35721937 -0.02074016 0.01682510 -0.00236956 energy density (per reference volume) = -0.2307763243 Kirchhoff stress -0.15015E-01 -0.72569E-03 -0.98324E-02 -0.72569E-03 0.17179E-01 0.85395E-02 -0.98324E-02 0.85395E-02 -0.11064E-02 *** step number: 6 *** Deformation gradient in current step 0.97000000 -0.03000000 -0.03000000 0.03000000 1.03000000 0.03000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.02555145 0.01990814 -0.00341117 energy density (per reference volume) = -0.2304995344 Kirchhoff stress -0.17595E-01 -0.10328E-02 -0.11819E-01 -0.10328E-02 0.20710E-01 0.99789E-02 -0.11819E-01 0.99789E-02 -0.15667E-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 1.35721937 1.35721937 1.35721937 -0.03062418 0.02293433 -0.00464139 energy density (per reference volume) = -0.2301757963 Kirchhoff stress -0.20001E-01 -0.13864E-02 -0.13783E-01 -0.13864E-02 0.24243E-01 0.11312E-01 -0.13783E-01 0.11312E-01 -0.20903E-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 1.35721937 1.35721937 1.35721937 -0.03597476 0.02591839 -0.00605983 energy density (per reference volume) = -0.2298067258 Kirchhoff stress -0.22222E-01 -0.17819E-02 -0.15710E-01 -0.17819E-02 0.27764E-01 0.12533E-01 -0.15710E-01 0.12533E-01 -0.26674E-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 1.35721937 1.35721937 1.35721937 -0.04161896 0.02887450 -0.00766606 energy density (per reference volume) = -0.2293941317 Kirchhoff stress -0.24249E-01 -0.22143E-02 -0.17589E-01 -0.22143E-02 0.31263E-01 0.13641E-01 -0.17589E-01 0.13641E-01 -0.32874E-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 1.35721937 1.35721937 1.35721937 -0.04757163 0.03181599 -0.00945955 energy density (per reference volume) = -0.2289399933 Kirchhoff stress -0.26071E-01 -0.26782E-02 -0.19408E-01 -0.26782E-02 0.34731E-01 0.14632E-01 -0.19408E-01 0.14632E-01 -0.39383E-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 1.35721937 1.35721937 1.35721937 -0.05384662 0.03475554 -0.01143969 energy density (per reference volume) = -0.2284464351 Kirchhoff stress -0.27681E-01 -0.31677E-02 -0.21157E-01 -0.31677E-02 0.38160E-01 0.15508E-01 -0.21157E-01 0.15508E-01 -0.46079E-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 1.35721937 1.35721937 1.35721937 -0.06045655 0.03770501 -0.01360579 energy density (per reference volume) = -0.2279156989 Kirchhoff stress -0.29073E-01 -0.36766E-02 -0.22825E-01 -0.36766E-02 0.41543E-01 0.16270E-01 -0.22825E-01 0.16270E-01 -0.52829E-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 1.35721937 1.35721937 1.35721937 -0.06741264 0.04067546 -0.01595697 energy density (per reference volume) = -0.2273501152 Kirchhoff stress -0.30243E-01 -0.41986E-02 -0.24403E-01 -0.41986E-02 0.44876E-01 0.16921E-01 -0.24403E-01 0.16921E-01 -0.59500E-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 1.35721937 1.35721937 1.35721937 -0.07472452 0.04367710 -0.01849225 energy density (per reference volume) = -0.2267520721 Kirchhoff stress -0.31188E-01 -0.47274E-02 -0.25885E-01 -0.47274E-02 0.48154E-01 0.17467E-01 -0.25885E-01 0.17467E-01 -0.65957E-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 1.35721937 1.35721937 1.35721937 -0.08240008 0.04671932 -0.02121042 energy density (per reference volume) = -0.2261239840 Kirchhoff stress -0.31909E-01 -0.52566E-02 -0.27262E-01 -0.52566E-02 0.51376E-01 0.17914E-01 -0.27262E-01 0.17914E-01 -0.72066E-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 1.35721937 1.35721937 1.35721937 -0.09044526 0.04981065 -0.02410997 energy density (per reference volume) = -0.2254682593 Kirchhoff stress -0.32407E-01 -0.57800E-02 -0.28531E-01 -0.57800E-02 0.54541E-01 0.18270E-01 -0.28531E-01 0.18270E-01 -0.77695E-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 1.35721937 1.35721937 1.35721937 -0.09886389 0.05295878 -0.02718913 energy density (per reference volume) = -0.2247872688 Kirchhoff stress -0.32686E-01 -0.62917E-02 -0.29688E-01 -0.62917E-02 0.57652E-01 0.18544E-01 -0.29688E-01 0.18544E-01 -0.82720E-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 1.35721937 1.35721937 1.35721937 -0.10765756 0.05617059 -0.03044572 energy density (per reference volume) = -0.2240833145 Kirchhoff stress -0.32751E-01 -0.67861E-02 -0.30731E-01 -0.67861E-02 0.60709E-01 0.18748E-01 -0.30731E-01 0.18748E-01 -0.87022E-02 *** step number: 19 *** Deformation gradient in current step 0.90500000 -0.09500000 -0.09500000 0.09500000 1.09500000 0.09500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.11682552 0.05945212 -0.03387709 energy density (per reference volume) = -0.2233585998 Kirchhoff stress -0.32609E-01 -0.72583E-02 -0.31659E-01 -0.72583E-02 0.63717E-01 0.18893E-01 -0.31659E-01 0.18893E-01 -0.90495E-02 *** step number: 20 *** Deformation gradient in current step 0.90000000 -0.10000000 -0.10000000 0.10000000 1.10000000 0.10000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.12636451 0.06280866 -0.03748009 energy density (per reference volume) = -0.2226152018 Kirchhoff stress -0.32271E-01 -0.77040E-02 -0.32473E-01 -0.77040E-02 0.66682E-01 0.18992E-01 -0.32473E-01 0.18992E-01 -0.93043E-02 *** step number: 21 *** Deformation gradient in current step 0.89500000 -0.10500000 -0.10500000 0.10500000 1.10500000 0.10500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.13626880 0.06624480 -0.04125099 energy density (per reference volume) = -0.2218550458 Kirchhoff stress -0.31746E-01 -0.81193E-02 -0.33175E-01 -0.81193E-02 0.69608E-01 0.19057E-01 -0.33175E-01 0.19057E-01 -0.94584E-02 *** step number: 22 *** Deformation gradient in current step 0.89000000 -0.11000000 -0.11000000 0.11000000 1.11000000 0.11000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.14653007 0.06976443 -0.04518534 energy density (per reference volume) = -0.2210798839 Kirchhoff stress -0.31049E-01 -0.85016E-02 -0.33770E-01 -0.85016E-02 0.72504E-01 0.19103E-01 -0.33770E-01 0.19103E-01 -0.95051E-02 *** step number: 23 *** Deformation gradient in current step 0.88500000 -0.11500000 -0.11500000 0.11500000 1.11500000 0.11500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.15713746 0.07337086 -0.04927801 energy density (per reference volume) = -0.2202912767 Kirchhoff stress -0.30191E-01 -0.88487E-02 -0.34261E-01 -0.88487E-02 0.75377E-01 0.19143E-01 -0.34261E-01 0.19143E-01 -0.94394E-02 *** step number: 24 *** Deformation gradient in current step 0.88000000 -0.12000000 -0.12000000 0.12000000 1.12000000 0.12000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.16807761 0.07706686 -0.05352304 energy density (per reference volume) = -0.2194905786 Kirchhoff stress -0.29189E-01 -0.91597E-02 -0.34656E-01 -0.91597E-02 0.78234E-01 0.19190E-01 -0.34656E-01 0.19190E-01 -0.92580E-02 *** step number: 25 *** Deformation gradient in current step 0.87500000 -0.12500000 -0.12500000 0.12500000 1.12500000 0.12500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.17933477 0.08085479 -0.05791368 energy density (per reference volume) = -0.2186789295 Kirchhoff stress -0.28058E-01 -0.94343E-02 -0.34962E-01 -0.94343E-02 0.81084E-01 0.19256E-01 -0.34962E-01 0.19256E-01 -0.89593E-02 *** step number: 26 *** Deformation gradient in current step 0.87000000 -0.13000000 -0.13000000 0.13000000 1.13000000 0.13000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.19089089 0.08473664 -0.06244228 energy density (per reference volume) = -0.2178572487 Kirchhoff stress -0.26814E-01 -0.96734E-02 -0.35186E-01 -0.96734E-02 0.83933E-01 0.19355E-01 -0.35186E-01 0.19355E-01 -0.85434E-02 *** step number: 27 *** Deformation gradient in current step 0.86500000 -0.13500000 -0.13500000 0.13500000 1.13500000 0.13500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.20272582 0.08871420 -0.06710030 energy density (per reference volume) = -0.2170262362 Kirchhoff stress -0.25475E-01 -0.98785E-02 -0.35338E-01 -0.98785E-02 0.86790E-01 0.19497E-01 -0.35338E-01 0.19497E-01 -0.80123E-02 *** step number: 28 *** Deformation gradient in current step 0.86000000 -0.14000000 -0.14000000 0.14000000 1.14000000 0.14000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.21481751 0.09278911 -0.07187834 energy density (per reference volume) = -0.2161863769 Kirchhoff stress -0.24057E-01 -0.10052E-01 -0.35426E-01 -0.10052E-01 0.89661E-01 0.19691E-01 -0.35426E-01 0.19691E-01 -0.73696E-02 *** step number: 29 *** Deformation gradient in current step 0.85500000 -0.14500000 -0.14500000 0.14500000 1.14500000 0.14500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.22714226 0.09696303 -0.07676611 energy density (per reference volume) = -0.2153379501 Kirchhoff stress -0.22576E-01 -0.10198E-01 -0.35460E-01 -0.10198E-01 0.92551E-01 0.19947E-01 -0.35460E-01 0.19947E-01 -0.66204E-02 *** step number: 30 *** Deformation gradient in current step 0.85000000 -0.15000000 -0.15000000 0.15000000 1.15000000 0.15000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.23967500 0.10123776 -0.08175249 energy density (per reference volume) = -0.2144810437 Kirchhoff stress -0.21049E-01 -0.10319E-01 -0.35449E-01 -0.10319E-01 0.95464E-01 0.20270E-01 -0.35449E-01 0.20270E-01 -0.57711E-02 *** step number: 31 *** Deformation gradient in current step 0.84500000 -0.15500000 -0.15500000 0.15500000 1.15500000 0.15500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.25238947 0.10561531 -0.08682556 energy density (per reference volume) = -0.2136155714 Kirchhoff stress -0.19492E-01 -0.10421E-01 -0.35403E-01 -0.10421E-01 0.98403E-01 0.20667E-01 -0.35403E-01 0.20667E-01 -0.48297E-02 *** step number: 32 *** Deformation gradient in current step 0.84000000 -0.16000000 -0.16000000 0.16000000 1.16000000 0.16000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.26525867 0.11009812 -0.09197263 energy density (per reference volume) = -0.2127412942 Kirchhoff stress -0.17918E-01 -0.10509E-01 -0.35331E-01 -0.10509E-01 0.10137E+00 0.21139E-01 -0.35331E-01 0.21139E-01 -0.38050E-02 *** step number: 33 *** Deformation gradient in current step 0.83500000 -0.16500000 -0.16500000 0.16500000 1.16500000 0.16500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.27825508 0.11468917 -0.09718037 energy density (per reference volume) = -0.2118578437 Kirchhoff stress -0.16343E-01 -0.10587E-01 -0.35241E-01 -0.10587E-01 0.10436E+00 0.21690E-01 -0.35241E-01 0.21690E-01 -0.27068E-02 *** step number: 34 *** Deformation gradient in current step 0.83000000 -0.17000000 -0.17000000 0.17000000 1.17000000 0.17000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.29135097 0.11939203 -0.10243476 energy density (per reference volume) = -0.2109647481 Kirchhoff stress -0.14778E-01 -0.10661E-01 -0.35141E-01 -0.10661E-01 0.10738E+00 0.22318E-01 -0.35141E-01 0.22318E-01 -0.15453E-02 *** step number: 35 *** Deformation gradient in current step 0.82500000 -0.17500000 -0.17500000 0.17500000 1.17500000 0.17500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.30451869 0.12421114 -0.10772127 energy density (per reference volume) = -0.2100614594 Kirchhoff stress -0.13235E-01 -0.10738E-01 -0.35038E-01 -0.10738E-01 0.11042E+00 0.23022E-01 -0.35038E-01 0.23022E-01 -0.33155E-03 *** 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 1.35721937 1.35721937 1.35721937 -0.31773094 0.12915179 -0.11302480 energy density (per reference volume) = -0.2091473812 Kirchhoff stress -0.11724E-01 -0.10822E-01 -0.34939E-01 -0.10822E-01 0.11347E+00 0.23798E-01 -0.34939E-01 0.23798E-01 0.92343E-03 *** 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 1.35721937 1.35721937 1.35721937 -0.33096102 0.13422033 -0.11832978 energy density (per reference volume) = -0.2082218972 Kirchhoff stress -0.10253E-01 -0.10919E-01 -0.34849E-01 -0.10919E-01 0.11654E+00 0.24642E-01 -0.34849E-01 0.24642E-01 0.22085E-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 1.35721937 1.35721937 1.35721937 -0.34418299 0.13942422 -0.12362016 energy density (per reference volume) = -0.2072843983 Kirchhoff stress -0.88297E-02 -0.11035E-01 -0.34772E-01 -0.11035E-01 0.11959E+00 0.25546E-01 -0.34772E-01 0.25546E-01 0.35127E-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 1.35721937 1.35721937 1.35721937 -0.35737188 0.14477218 -0.12887944 energy density (per reference volume) = -0.2063343094 Kirchhoff stress -0.74603E-02 -0.11173E-01 -0.34711E-01 -0.11173E-01 0.12264E+00 0.26504E-01 -0.34711E-01 0.26504E-01 0.48252E-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 1.35721937 1.35721937 1.35721937 -0.37050377 0.15027422 -0.13409058 energy density (per reference volume) = -0.2053711151 Kirchhoff stress -0.61492E-02 -0.11340E-01 -0.34670E-01 -0.11340E-01 0.12565E+00 0.27506E-01 -0.34670E-01 0.27506E-01 0.61359E-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 1.35721937 1.35721937 1.35721937 -0.38355589 0.15594172 -0.13923601 energy density (per reference volume) = -0.2043943826 Kirchhoff stress -0.48997E-02 -0.11537E-01 -0.34648E-01 -0.11537E-01 0.12863E+00 0.28545E-01 -0.34648E-01 0.28545E-01 0.74351E-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 1.35721937 1.35721937 1.35721937 -0.39650663 0.16178750 -0.14429751 energy density (per reference volume) = -0.2034037843 Kirchhoff stress -0.37140E-02 -0.11770E-01 -0.34648E-01 -0.11770E-01 0.13155E+00 0.29609E-01 -0.34648E-01 0.29609E-01 0.87137E-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 1.35721937 1.35721937 1.35721937 -0.40933556 0.16782579 -0.14925615 energy density (per reference volume) = -0.2023991174 Kirchhoff stress -0.25933E-02 -0.12040E-01 -0.34668E-01 -0.12040E-01 0.13440E+00 0.30687E-01 -0.34668E-01 0.30687E-01 0.99634E-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 1.35721937 1.35721937 1.35721937 -0.42202330 0.17407225 -0.15409218 energy density (per reference volume) = -0.2013803219 Kirchhoff stress -0.15379E-02 -0.12351E-01 -0.34706E-01 -0.12351E-01 0.13715E+00 0.31770E-01 -0.34706E-01 0.31770E-01 0.11177E-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 1.35721937 1.35721937 1.35721937 -0.43455159 0.18054384 -0.15878497 energy density (per reference volume) = -0.2003474962 Kirchhoff stress -0.54699E-03 -0.12703E-01 -0.34762E-01 -0.12703E-01 0.13980E+00 0.32845E-01 -0.34762E-01 0.32845E-01 0.12347E-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 1.35721937 1.35721937 1.35721937 -0.44690297 0.18725882 -0.16331279 energy density (per reference volume) = -0.1993009122 Kirchhoff stress 0.38065E-03 -0.13097E-01 -0.34832E-01 -0.13097E-01 0.14231E+00 0.33901E-01 -0.34832E-01 0.33901E-01 0.13468E-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 1.35721937 1.35721937 1.35721937 -0.46056256 0.19183272 -0.16948743 energy density (per reference volume) = -0.1982390140 Kirchhoff stress 0.14319E-02 -0.13360E-01 -0.35161E-01 -0.13360E-01 0.14680E+00 0.35717E-01 -0.35161E-01 0.35717E-01 0.14995E-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 1.35721937 1.35721937 1.35721937 -0.47799354 0.18990036 -0.18061617 energy density (per reference volume) = -0.1971237658 Kirchhoff stress 0.28337E-02 -0.13224E-01 -0.36203E-01 -0.13224E-01 0.15685E+00 0.39620E-01 -0.36203E-01 0.39620E-01 0.17598E-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 1.35721937 1.35721937 1.35721937 -0.49348482 0.18728575 -0.19147536 energy density (per reference volume) = -0.1959401538 Kirchhoff stress 0.27290E-02 -0.13053E-01 -0.37947E-01 -0.13053E-01 0.16666E+00 0.43727E-01 -0.37947E-01 0.43727E-01 0.19507E-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 1.35721937 1.35721937 1.35721937 -0.50711674 0.18501779 -0.20383360 energy density (per reference volume) = -0.1946475021 Kirchhoff stress -0.49664E-03 -0.12483E-01 -0.40504E-01 -0.12483E-01 0.17424E+00 0.48160E-01 -0.40504E-01 0.48160E-01 0.19600E-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 1.35721937 1.35721937 1.35721937 -0.78243415 0.28235534 -0.32515149 energy density (per reference volume) = -0.2025679770 Kirchhoff stress 0.10044E+00 -0.81716E-02 0.13557E-01 -0.81716E-02 0.12518E+00 0.28305E-01 0.13557E-01 0.28305E-01 0.28092E-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 1.35721937 1.35721937 1.35721937 -0.78696714 0.27528903 -0.33250449 energy density (per reference volume) = -0.2023000659 Kirchhoff stress 0.95108E-01 -0.85766E-02 0.91320E-02 -0.85766E-02 0.13624E+00 0.33991E-01 0.91320E-02 0.33991E-01 0.29149E-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 1.35721937 1.35721937 1.35721937 -0.79306120 0.26896665 -0.34108241 energy density (per reference volume) = -0.2019098486 Kirchhoff stress 0.90523E-01 -0.90983E-02 0.51747E-02 -0.90983E-02 0.14653E+00 0.39141E-01 0.51747E-02 0.39141E-01 0.30008E-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 1.35721937 1.35721937 1.35721937 -0.79809831 0.26262757 -0.35014158 energy density (per reference volume) = -0.2014017794 Kirchhoff stress 0.85555E-01 -0.96636E-02 0.12506E-02 -0.96636E-02 0.15600E+00 0.43912E-01 0.12506E-02 0.43912E-01 0.30368E-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 1.35721937 1.35721937 1.35721937 -0.81567868 0.25560103 -0.34470899 energy density (per reference volume) = -0.2006876958 Kirchhoff stress 0.85593E-01 -0.16644E-01 -0.11827E-01 -0.16644E-01 0.19038E+00 0.62356E-01 -0.11827E-01 0.62356E-01 0.41553E-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 1.35721937 1.35721937 1.35721937 -0.83399671 0.24854535 -0.33658504 energy density (per reference volume) = -0.1996080769 Kirchhoff stress 0.86174E-01 -0.25521E-01 -0.26639E-01 -0.25521E-01 0.22903E+00 0.83443E-01 -0.26639E-01 0.83443E-01 0.54306E-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 1.35721937 1.35721937 1.35721937 -0.85041400 0.24191013 -0.32854016 energy density (per reference volume) = -0.1981586307 Kirchhoff stress 0.86507E-01 -0.35108E-01 -0.41448E-01 -0.35108E-01 0.26721E+00 0.10455E+00 -0.41448E-01 0.10455E+00 0.66611E-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 1.35721937 1.35721937 1.35721937 -0.86434761 0.23622642 -0.32078453 energy density (per reference volume) = -0.1963439576 Kirchhoff stress 0.86750E-01 -0.45155E-01 -0.55948E-01 -0.45155E-01 0.30423E+00 0.12524E+00 -0.55948E-01 0.12524E+00 0.78317E-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 1.35721937 1.35721937 1.35721937 -0.87406336 0.23292424 -0.31328937 energy density (per reference volume) = -0.1941807656 Kirchhoff stress 0.87148E-01 -0.55130E-01 -0.69371E-01 -0.55130E-01 0.33827E+00 0.14445E+00 -0.69371E-01 0.14445E+00 0.89020E-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 1.35721937 1.35721937 1.35721937 -0.70549552 0.48526598 -0.13409058 energy density (per reference volume) = -0.2053711151 Kirchhoff stress 0.12565E+00 -0.11340E-01 0.27506E-01 -0.11340E-01 -0.61492E-02 -0.34670E-01 0.27506E-01 -0.34670E-01 0.61359E-02 *** step number: 61 *** Deformation gradient in current step 0.69500000 -0.30500000 -0.30500000 0.30500000 1.30500000 0.30500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.70457707 0.49197738 -0.12887943 energy density (per reference volume) = -0.2063343094 Kirchhoff stress 0.12264E+00 -0.11173E-01 0.26504E-01 -0.11173E-01 -0.74603E-02 -0.34711E-01 0.26504E-01 -0.34711E-01 0.48252E-02 *** step number: 62 *** Deformation gradient in current step 0.69000000 -0.31000000 -0.31000000 0.31000000 1.31000000 0.31000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.70337492 0.49861616 -0.12362016 energy density (per reference volume) = -0.2072843983 Kirchhoff stress 0.11959E+00 -0.11035E-01 0.25546E-01 -0.11035E-01 -0.88297E-02 -0.34772E-01 0.25546E-01 -0.34772E-01 0.35127E-02 *** step number: 63 *** Deformation gradient in current step 0.68500000 -0.31500000 -0.31500000 0.31500000 1.31500000 0.31500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.70192459 0.50518390 -0.11832978 energy density (per reference volume) = -0.2082218972 Kirchhoff stress 0.11654E+00 -0.10919E-01 0.24642E-01 -0.10919E-01 -0.10253E-01 -0.34849E-01 0.24642E-01 -0.34849E-01 0.22085E-02 *** step number: 64 *** Deformation gradient in current step 0.68000000 -0.32000000 -0.32000000 0.32000000 1.32000000 0.32000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.70025986 0.51168071 -0.11302480 energy density (per reference volume) = -0.2091473812 Kirchhoff stress 0.11347E+00 -0.10822E-01 0.23798E-01 -0.10822E-01 -0.11724E-01 -0.34939E-01 0.23798E-01 -0.34939E-01 0.92343E-03 *** 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 1.35721937 1.35721937 1.35721937 -0.69841295 0.51810540 -0.10772127 energy density (per reference volume) = -0.2100614594 Kirchhoff stress 0.11042E+00 -0.10738E-01 0.23022E-01 -0.10738E-01 -0.13235E-01 -0.35038E-01 0.23022E-01 -0.35038E-01 -0.33155E-03 *** 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 1.35721937 1.35721937 1.35721937 -0.69641450 0.52445556 -0.10243475 energy density (per reference volume) = -0.2109647481 Kirchhoff stress 0.10738E+00 -0.10661E-01 0.22318E-01 -0.10661E-01 -0.14778E-01 -0.35141E-01 0.22318E-01 -0.35141E-01 -0.15453E-02 *** step number: 67 *** Deformation gradient in current step 0.66500000 -0.33500000 -0.33500000 0.33500000 1.33500000 0.33500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.69429366 0.53072775 -0.09718037 energy density (per reference volume) = -0.2118578437 Kirchhoff stress 0.10436E+00 -0.10587E-01 0.21690E-01 -0.10587E-01 -0.16343E-01 -0.35241E-01 0.21690E-01 -0.35241E-01 -0.27068E-02 *** step number: 68 *** Deformation gradient in current step 0.66000000 -0.34000000 -0.34000000 0.34000000 1.34000000 0.34000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.69207815 0.53691760 -0.09197264 energy density (per reference volume) = -0.2127412942 Kirchhoff stress 0.10137E+00 -0.10509E-01 0.21139E-01 -0.10509E-01 -0.17918E-01 -0.35331E-01 0.21139E-01 -0.35331E-01 -0.38050E-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 1.35721937 1.35721937 1.35721937 -0.68979423 0.54302007 -0.08682556 energy density (per reference volume) = -0.2136155714 Kirchhoff stress 0.98403E-01 -0.10421E-01 0.20667E-01 -0.10421E-01 -0.19492E-01 -0.35403E-01 0.20667E-01 -0.35403E-01 -0.48297E-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 1.35721937 1.35721937 1.35721937 -0.68746670 0.54902951 -0.08175245 energy density (per reference volume) = -0.2144810437 Kirchhoff stress 0.95464E-01 -0.10319E-01 0.20270E-01 -0.10319E-01 -0.21049E-01 -0.35449E-01 0.20270E-01 -0.35449E-01 -0.57711E-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 1.35721937 1.35721937 1.35721937 -0.68511932 0.55494008 -0.07676611 energy density (per reference volume) = -0.2153379501 Kirchhoff stress 0.92551E-01 -0.10198E-01 0.19947E-01 -0.10198E-01 -0.22576E-01 -0.35460E-01 0.19947E-01 -0.35460E-01 -0.66204E-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 1.35721937 1.35721937 1.35721937 -0.68277394 0.56074553 -0.07187834 energy density (per reference volume) = -0.2161863769 Kirchhoff stress 0.89661E-01 -0.10052E-01 0.19691E-01 -0.10052E-01 -0.24057E-01 -0.35426E-01 0.19691E-01 -0.35426E-01 -0.73696E-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 1.35721937 1.35721937 1.35721937 -0.68045145 0.56643982 -0.06710031 energy density (per reference volume) = -0.2170262362 Kirchhoff stress 0.86790E-01 -0.98785E-02 0.19497E-01 -0.98785E-02 -0.25475E-01 -0.35338E-01 0.19497E-01 -0.35338E-01 -0.80123E-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 1.35721937 1.35721937 1.35721937 -0.67817130 0.57201706 -0.06244227 energy density (per reference volume) = -0.2178572487 Kirchhoff stress 0.83933E-01 -0.96734E-02 0.19355E-01 -0.96734E-02 -0.26814E-01 -0.35186E-01 0.19355E-01 -0.35186E-01 -0.85434E-02 *** step number: 75 *** Deformation gradient in current step 0.62500000 -0.37500000 -0.37500000 0.37500000 1.37500000 0.37500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.67595175 0.57747176 -0.05791369 energy density (per reference volume) = -0.2186789295 Kirchhoff stress 0.81084E-01 -0.94343E-02 0.19256E-01 -0.94343E-02 -0.28058E-01 -0.34962E-01 0.19256E-01 -0.34962E-01 -0.89593E-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 1.35721937 1.35721937 1.35721937 -0.67380972 0.58279897 -0.05352305 energy density (per reference volume) = -0.2194905786 Kirchhoff stress 0.78234E-01 -0.91597E-02 0.19190E-01 -0.91597E-02 -0.29189E-01 -0.34656E-01 0.19190E-01 -0.34656E-01 -0.92580E-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 1.35721937 1.35721937 1.35721937 -0.67176113 0.58799453 -0.04927801 energy density (per reference volume) = -0.2202912767 Kirchhoff stress 0.75377E-01 -0.88487E-02 0.19143E-01 -0.88487E-02 -0.30191E-01 -0.34261E-01 0.19143E-01 -0.34261E-01 -0.94394E-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 1.35721937 1.35721937 1.35721937 -0.66982074 0.59305510 -0.04518534 energy density (per reference volume) = -0.2210798839 Kirchhoff stress 0.72504E-01 -0.85016E-02 0.19103E-01 -0.85016E-02 -0.31049E-01 -0.33770E-01 0.19103E-01 -0.33770E-01 -0.95051E-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 1.35721937 1.35721937 1.35721937 -0.66800237 0.59797837 -0.04125099 energy density (per reference volume) = -0.2218550458 Kirchhoff stress 0.69608E-01 -0.81193E-02 0.19057E-01 -0.81193E-02 -0.31746E-01 -0.33175E-01 0.19057E-01 -0.33175E-01 -0.94584E-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 1.35721937 1.35721937 1.35721937 -0.66631899 0.60276314 -0.03748009 energy density (per reference volume) = -0.2226152018 Kirchhoff stress 0.66682E-01 -0.77040E-02 0.18992E-01 -0.77040E-02 -0.32271E-01 -0.32473E-01 0.18992E-01 -0.32473E-01 -0.93043E-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 1.35721937 1.35721937 1.35721937 -0.66478281 0.60740941 -0.03387709 energy density (per reference volume) = -0.2233585998 Kirchhoff stress 0.63717E-01 -0.72583E-02 0.18893E-01 -0.72583E-02 -0.32609E-01 -0.31659E-01 0.18893E-01 -0.31659E-01 -0.90495E-02 *** step number: 82 *** Deformation gradient in current step 0.59000000 -0.41000000 -0.41000000 0.41000000 1.41000000 0.41000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.66340545 0.61191847 -0.03044571 energy density (per reference volume) = -0.2240833145 Kirchhoff stress 0.60709E-01 -0.67861E-02 0.18748E-01 -0.67861E-02 -0.32751E-01 -0.30731E-01 0.18748E-01 -0.30731E-01 -0.87022E-02 *** step number: 83 *** Deformation gradient in current step 0.58500000 -0.41500000 -0.41500000 0.41500000 1.41500000 0.41500000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.66219802 0.61629292 -0.02718913 energy density (per reference volume) = -0.2247872688 Kirchhoff stress 0.57652E-01 -0.62917E-02 0.18544E-01 -0.62917E-02 -0.32686E-01 -0.29688E-01 0.18544E-01 -0.29688E-01 -0.82720E-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 1.35721937 1.35721937 1.35721937 -0.66117133 0.62053671 -0.02410997 energy density (per reference volume) = -0.2254682593 Kirchhoff stress 0.54541E-01 -0.57800E-02 0.18270E-01 -0.57800E-02 -0.32407E-01 -0.28531E-01 0.18270E-01 -0.28531E-01 -0.77695E-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 1.35721937 1.35721937 1.35721937 -0.66033596 0.62465519 -0.02121041 energy density (per reference volume) = -0.2261239840 Kirchhoff stress 0.51376E-01 -0.52566E-02 0.17914E-01 -0.52566E-02 -0.31909E-01 -0.27262E-01 0.17914E-01 -0.27262E-01 -0.72066E-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 1.35721937 1.35721937 1.35721937 -0.65970242 0.62865500 -0.01849225 energy density (per reference volume) = -0.2267520721 Kirchhoff stress 0.48154E-01 -0.47274E-02 0.17467E-01 -0.47274E-02 -0.31188E-01 -0.25885E-01 0.17467E-01 -0.25885E-01 -0.65957E-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 1.35721937 1.35721937 1.35721937 -0.65928128 0.63254411 -0.01595697 energy density (per reference volume) = -0.2273501152 Kirchhoff stress 0.44876E-01 -0.41986E-02 0.16921E-01 -0.41986E-02 -0.30243E-01 -0.24403E-01 0.16921E-01 -0.24403E-01 -0.59500E-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 1.35721937 1.35721937 1.35721937 -0.65908332 0.63633180 -0.01360577 energy density (per reference volume) = -0.2279156989 Kirchhoff stress 0.41543E-01 -0.36766E-02 0.16270E-01 -0.36766E-02 -0.29073E-01 -0.22825E-01 0.16270E-01 -0.22825E-01 -0.52829E-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 1.35721937 1.35721937 1.35721937 -0.65911952 0.64002845 -0.01143969 energy density (per reference volume) = -0.2284464351 Kirchhoff stress 0.38160E-01 -0.31677E-02 0.15508E-01 -0.31677E-02 -0.27681E-01 -0.21157E-01 0.15508E-01 -0.21157E-01 -0.46079E-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 1.35721937 1.35721937 1.35721937 -0.65940129 0.64364565 -0.00945955 energy density (per reference volume) = -0.2289399933 Kirchhoff stress 0.34731E-01 -0.26782E-02 0.14632E-01 -0.26782E-02 -0.26071E-01 -0.19408E-01 0.14632E-01 -0.19408E-01 -0.39383E-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 1.35721937 1.35721937 1.35721937 -0.65994045 0.64719599 -0.00766606 energy density (per reference volume) = -0.2293941317 Kirchhoff stress 0.31263E-01 -0.22143E-02 0.13641E-01 -0.22143E-02 -0.24249E-01 -0.17589E-01 0.13641E-01 -0.17589E-01 -0.32874E-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 1.35721937 1.35721937 1.35721937 -0.66074938 0.65069302 -0.00605983 energy density (per reference volume) = -0.2298067258 Kirchhoff stress 0.27764E-01 -0.17819E-02 0.12533E-01 -0.17819E-02 -0.22222E-01 -0.15710E-01 0.12533E-01 -0.15710E-01 -0.26674E-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 1.35721937 1.35721937 1.35721937 -0.66184098 0.65415113 -0.00464139 energy density (per reference volume) = -0.2301757963 Kirchhoff stress 0.24243E-01 -0.13864E-02 0.11312E-01 -0.13864E-02 -0.20001E-01 -0.13783E-01 0.11312E-01 -0.13783E-01 -0.20903E-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 1.35721937 1.35721937 1.35721937 -0.66322877 0.65758547 -0.00341117 energy density (per reference volume) = -0.2304995344 Kirchhoff stress 0.20710E-01 -0.10328E-02 0.99789E-02 -0.10328E-02 -0.17595E-01 -0.11819E-01 0.99789E-02 -0.11819E-01 -0.15667E-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 1.35721937 1.35721937 1.35721937 -0.66492688 0.66101184 -0.00236956 energy density (per reference volume) = -0.2307763243 Kirchhoff stress 0.17179E-01 -0.72570E-03 0.85395E-02 -0.72570E-03 -0.15015E-01 -0.98324E-02 0.85395E-02 -0.98324E-02 -0.11064E-02 *** step number: 96 *** Deformation gradient in current step 0.52000000 -0.48000000 -0.48000000 0.48000000 1.48000000 0.48000000 0.00000000 0.00000000 1.00000000 Shuffle vectors and relaxed displacements 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 1.35721937 1.35721937 1.35721937 -0.66695010 0.66444658 -0.00151688 energy density (per reference volume) = -0.2310047638 Kirchhoff stress 0.13660E-01 -0.46891E-03 0.69997E-02 -0.46891E-03 -0.12276E-01 -0.78349E-02 0.69997E-02 -0.78349E-02 -0.71785E-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 1.35721937 1.35721937 1.35721937 -0.66931376 0.66790648 -0.00085340 energy density (per reference volume) = -0.2311836815 Kirchhoff stress 0.10169E-01 -0.26573E-03 0.53668E-02 -0.26573E-03 -0.93900E-02 -0.58400E-02 0.53668E-02 -0.58400E-02 -0.40808E-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 1.35721937 1.35721937 1.35721937 -0.67203383 0.67140867 -0.00037934 energy density (per reference volume) = -0.2313121512 Kirchhoff stress 0.67181E-02 -0.11873E-03 0.36493E-02 -0.11873E-03 -0.63721E-02 -0.38607E-02 0.36493E-02 -0.38607E-02 -0.18274E-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 1.35721937 1.35721937 1.35721937 -0.67512680 0.67497056 -0.00009484 energy density (per reference volume) = -0.2313895032 Kirchhoff stress 0.33235E-02 -0.29776E-04 0.18568E-02 -0.29776E-04 -0.32370E-02 -0.19098E-02 0.18568E-02 -0.19098E-02 -0.45891E-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 1.35721937 1.35721937 1.35721937 -0.67860966 0.67860968 0.00000001 energy density (per reference volume) = -0.2314153324 Kirchhoff stress -0.74106E-15 0.37125E-08 0.14780E-08 0.37125E-08 -0.72891E-15 0.35463E-08 0.14780E-08 0.35463E-08 -0.93950E-15 * CB-KIM calculation successfully completed