---------------------------------------------------------------------------- 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 'Cu(bcc)' * Warning: for a simple bravais lattice * Warning: ShuffleOn is reset to ShuffleOn = FALSE material information Bravais lattice vectors: a1 = 2.00000 0.00000 0.00000 a2 = 0.00000 2.00000 0.00000 a3 = 1.00000 1.00000 1.00000 Basis atoms: Number of basis atoms = 1 spec mass reference shift vector 29 1.00 0.00000 0.00000 0.00000 **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: EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_002 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: 4.9840864151 **global parameter settings** Number of spatial dimensions = 3 Number of dofs per node = 3 Number of nodes per element = 4 Shuffles optimization = OFF Prefer multilattice stress correction = OFF Optimize F and shuffles concurrently = ACTIVATED Use preconditioned CG optimization = OFF **optimize lattice parameter** Input lattice vectors 2.0000000000000000 0.0000000000000000 1.0000000000000000 0.0000000000000000 2.0000000000000000 1.0000000000000000 0.0000000000000000 0.0000000000000000 1.0000000000000000 Relaxed lattice vectors 2.83954011578988296804 -0.00000000000000000168 1.41977005789494148402 -0.00000000000000000168 2.83954011578988296804 1.41977005789494148402 -0.00000000000000000695 -0.00000000000000002117 1.41977005789494215016 **deform crystal** Method: fixed shifts Mode: multiple steps, nsteps = 100 Deformation gradient -1.00000000 -2.00000000 -2.00000000 2.00000000 3.00000000 2.00000000 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 energy density (per reference volume) = -0.3038167507 Kirchhoff stress 0.22450E-07 -0.41009E-17 -0.32959E-17 -0.41009E-17 0.22450E-07 -0.61751E-17 -0.32959E-17 -0.61751E-17 0.22450E-07 *** step number: 1 *** Deformation gradient in current step 0.98000000 -0.02000000 -0.02000000 0.02000000 1.02000000 0.02000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3033727508 Kirchhoff stress -0.87332E-02 0.10543E-02 -0.13716E-01 0.10543E-02 0.32165E-03 0.13447E-01 -0.13716E-01 0.13447E-01 -0.97726E-03 *** step number: 2 *** Deformation gradient in current step 0.96000000 -0.04000000 -0.04000000 0.04000000 1.04000000 0.04000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3025201204 Kirchhoff stress -0.14947E-01 0.32409E-02 -0.22591E-01 0.32409E-02 -0.12525E-01 0.25579E-01 -0.22591E-01 0.25579E-01 -0.51823E-02 *** step number: 3 *** Deformation gradient in current step 0.94000000 -0.06000000 -0.06000000 0.06000000 1.06000000 0.06000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3012436339 Kirchhoff stress -0.24542E-01 0.10076E-01 -0.33012E-01 0.10076E-01 -0.21898E-01 0.44108E-01 -0.33012E-01 0.44108E-01 -0.10720E-01 *** step number: 4 *** Deformation gradient in current step 0.92000000 -0.08000000 -0.08000000 0.08000000 1.08000000 0.08000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2992455460 Kirchhoff stress -0.39263E-01 0.19916E-01 -0.46183E-01 0.19916E-01 -0.29791E-01 0.65661E-01 -0.46183E-01 0.65661E-01 -0.17851E-01 *** step number: 5 *** Deformation gradient in current step 0.90000000 -0.10000000 -0.10000000 0.10000000 1.10000000 0.10000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2963434549 Kirchhoff stress -0.58767E-01 0.29701E-01 -0.60321E-01 0.29701E-01 -0.36436E-01 0.87364E-01 -0.60321E-01 0.87364E-01 -0.27764E-01 *** step number: 6 *** Deformation gradient in current step 0.88000000 -0.12000000 -0.12000000 0.12000000 1.12000000 0.12000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2923855690 Kirchhoff stress -0.84112E-01 0.39150E-01 -0.75796E-01 0.39150E-01 -0.42833E-01 0.11034E+00 -0.75796E-01 0.11034E+00 -0.40239E-01 *** step number: 7 *** Deformation gradient in current step 0.86000000 -0.14000000 -0.14000000 0.14000000 1.14000000 0.14000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2871698915 Kirchhoff stress -0.11568E+00 0.47648E-01 -0.93259E-01 0.47648E-01 -0.48720E-01 0.13634E+00 -0.93259E-01 0.13634E+00 -0.54363E-01 *** step number: 8 *** Deformation gradient in current step 0.84000000 -0.16000000 -0.16000000 0.16000000 1.16000000 0.16000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2804501579 Kirchhoff stress -0.15215E+00 0.54932E-01 -0.11314E+00 0.54932E-01 -0.55950E-01 0.16422E+00 -0.11314E+00 0.16422E+00 -0.72117E-01 *** step number: 9 *** Deformation gradient in current step 0.82000000 -0.18000000 -0.18000000 0.18000000 1.18000000 0.18000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2722910382 Kirchhoff stress -0.19111E+00 0.62296E-01 -0.13473E+00 0.62296E-01 -0.70215E-01 0.18974E+00 -0.13473E+00 0.18974E+00 -0.97411E-01 *** step number: 10 *** Deformation gradient in current step 0.80000000 -0.20000000 -0.20000000 0.20000000 1.20000000 0.20000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2624762303 Kirchhoff stress -0.24388E+00 0.64392E-01 -0.15970E+00 0.64392E-01 -0.84493E-01 0.21904E+00 -0.15970E+00 0.21904E+00 -0.12611E+00 *** step number: 11 *** Deformation gradient in current step 0.78000000 -0.22000000 -0.22000000 0.22000000 1.22000000 0.22000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2507463494 Kirchhoff stress -0.30003E+00 0.63448E-01 -0.18747E+00 0.63448E-01 -0.10214E+00 0.24960E+00 -0.18747E+00 0.24960E+00 -0.16048E+00 *** step number: 12 *** Deformation gradient in current step 0.76000000 -0.24000000 -0.24000000 0.24000000 1.24000000 0.24000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2370691293 Kirchhoff stress -0.35791E+00 0.59586E-01 -0.21785E+00 0.59586E-01 -0.12391E+00 0.28111E+00 -0.21785E+00 0.28111E+00 -0.20096E+00 *** step number: 13 *** Deformation gradient in current step 0.74000000 -0.26000000 -0.26000000 0.26000000 1.26000000 0.26000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2214257378 Kirchhoff stress -0.41735E+00 0.52441E-01 -0.25062E+00 0.52441E-01 -0.15029E+00 0.31360E+00 -0.25062E+00 0.31360E+00 -0.24772E+00 *** step number: 14 *** Deformation gradient in current step 0.72000000 -0.28000000 -0.28000000 0.28000000 1.28000000 0.28000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2038298317 Kirchhoff stress -0.47671E+00 0.42247E-01 -0.28530E+00 0.42247E-01 -0.18133E+00 0.34726E+00 -0.28530E+00 0.34726E+00 -0.30045E+00 *** step number: 15 *** Deformation gradient in current step 0.70000000 -0.30000000 -0.30000000 0.30000000 1.30000000 0.30000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1843254641 Kirchhoff stress -0.53419E+00 0.29718E-01 -0.32157E+00 0.29718E-01 -0.21581E+00 0.38229E+00 -0.32157E+00 0.38229E+00 -0.35892E+00 *** step number: 16 *** Deformation gradient in current step 0.68000000 -0.32000000 -0.32000000 0.32000000 1.32000000 0.32000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1629599630 Kirchhoff stress -0.58818E+00 0.15014E-01 -0.35983E+00 0.15014E-01 -0.25412E+00 0.41853E+00 -0.35983E+00 0.41853E+00 -0.42471E+00 *** step number: 17 *** Deformation gradient in current step 0.66000000 -0.34000000 -0.34000000 0.34000000 1.34000000 0.34000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1399813067 Kirchhoff stress -0.63459E+00 -0.39097E-02 -0.39838E+00 -0.39097E-02 -0.30549E+00 0.45504E+00 -0.39838E+00 0.45504E+00 -0.49820E+00 *** step number: 18 *** Deformation gradient in current step 0.64000000 -0.36000000 -0.36000000 0.36000000 1.36000000 0.36000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1155990254 Kirchhoff stress -0.67868E+00 -0.21022E-01 -0.44267E+00 -0.21022E-01 -0.35749E+00 0.49347E+00 -0.44267E+00 0.49347E+00 -0.58361E+00 *** step number: 19 *** Deformation gradient in current step 0.62000000 -0.38000000 -0.38000000 0.38000000 1.38000000 0.38000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.8978940843E-01 Kirchhoff stress -0.71038E+00 -0.36007E-01 -0.48720E+00 -0.36007E-01 -0.41062E+00 0.53350E+00 -0.48720E+00 0.53350E+00 -0.67719E+00 *** step number: 20 *** Deformation gradient in current step 0.60000000 -0.40000000 -0.40000000 0.40000000 1.40000000 0.40000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.6280202704E-01 Kirchhoff stress -0.73490E+00 -0.50241E-01 -0.53342E+00 -0.50241E-01 -0.46392E+00 0.57483E+00 -0.53342E+00 0.57483E+00 -0.77905E+00 *** step number: 21 *** Deformation gradient in current step 0.58000000 -0.42000000 -0.42000000 0.42000000 1.42000000 0.42000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3469637312E-01 Kirchhoff stress -0.74945E+00 -0.64278E-01 -0.58196E+00 -0.64278E-01 -0.52043E+00 0.61609E+00 -0.58196E+00 0.61609E+00 -0.89060E+00 *** step number: 22 *** Deformation gradient in current step 0.56000000 -0.44000000 -0.44000000 0.44000000 1.44000000 0.44000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.5781751476E-02 Kirchhoff stress -0.75831E+00 -0.72539E-01 -0.63129E+00 -0.72539E-01 -0.58125E+00 0.65699E+00 -0.63129E+00 0.65699E+00 -0.10120E+01 *** step number: 23 *** Deformation gradient in current step 0.54000000 -0.46000000 -0.46000000 0.46000000 1.46000000 0.46000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2391441079E-01 Kirchhoff stress -0.75831E+00 -0.74239E-01 -0.68109E+00 -0.74239E-01 -0.63569E+00 0.69959E+00 -0.68109E+00 0.69959E+00 -0.11433E+01 *** step number: 24 *** Deformation gradient in current step 0.52000000 -0.48000000 -0.48000000 0.48000000 1.48000000 0.48000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5431599595E-01 Kirchhoff stress -0.74764E+00 -0.71265E-01 -0.73164E+00 -0.71265E-01 -0.68505E+00 0.74185E+00 -0.73164E+00 0.74185E+00 -0.12863E+01 *** step number: 25 *** Deformation gradient in current step 0.50000000 -0.50000000 -0.50000000 0.50000000 1.50000000 0.50000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8533189476E-01 Kirchhoff stress -0.72858E+00 -0.63223E-01 -0.78253E+00 -0.63223E-01 -0.72858E+00 0.78253E+00 -0.78253E+00 0.78253E+00 -0.14420E+01 *** step number: 26 *** Deformation gradient in current step 0.48000000 -0.52000000 -0.52000000 0.52000000 1.52000000 0.52000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1169093631 Kirchhoff stress -0.70244E+00 -0.50052E-01 -0.83266E+00 -0.50052E-01 -0.76421E+00 0.82184E+00 -0.83266E+00 0.82184E+00 -0.16089E+01 *** step number: 27 *** Deformation gradient in current step 0.46000000 -0.54000000 -0.54000000 0.54000000 1.54000000 0.54000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1490509873 Kirchhoff stress -0.67033E+00 -0.32363E-01 -0.88108E+00 -0.32363E-01 -0.78962E+00 0.86004E+00 -0.88108E+00 0.86004E+00 -0.17852E+01 *** step number: 28 *** Deformation gradient in current step 0.44000000 -0.56000000 -0.56000000 0.56000000 1.56000000 0.56000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1818044462 Kirchhoff stress -0.63318E+00 -0.11613E-01 -0.92700E+00 -0.11613E-01 -0.80232E+00 0.89632E+00 -0.92700E+00 0.89632E+00 -0.19712E+01 *** step number: 29 *** Deformation gradient in current step 0.42000000 -0.58000000 -0.58000000 0.58000000 1.58000000 0.58000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2152231937 Kirchhoff stress -0.59228E+00 0.12185E-01 -0.96948E+00 0.12185E-01 -0.80474E+00 0.92981E+00 -0.96948E+00 0.92981E+00 -0.21670E+01 *** step number: 30 *** Deformation gradient in current step 0.40000000 -0.60000000 -0.60000000 0.60000000 1.60000000 0.60000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2492415092 Kirchhoff stress -0.54890E+00 0.39634E-01 -0.10074E+01 0.39634E-01 -0.80100E+00 0.95977E+00 -0.10074E+01 0.95977E+00 -0.23716E+01 *** step number: 31 *** Deformation gradient in current step 0.38000000 -0.62000000 -0.62000000 0.62000000 1.62000000 0.62000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2838378042 Kirchhoff stress -0.50128E+00 0.66395E-01 -0.10398E+01 0.66395E-01 -0.78183E+00 0.98521E+00 -0.10398E+01 0.98521E+00 -0.25827E+01 *** step number: 32 *** Deformation gradient in current step 0.36000000 -0.64000000 -0.64000000 0.64000000 1.64000000 0.64000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3190060700 Kirchhoff stress -0.44845E+00 0.91145E-01 -0.10653E+01 0.91145E-01 -0.74758E+00 0.10062E+01 -0.10653E+01 0.10062E+01 -0.27979E+01 *** step number: 33 *** Deformation gradient in current step 0.34000000 -0.66000000 -0.66000000 0.66000000 1.66000000 0.66000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3547472576 Kirchhoff stress -0.39459E+00 0.11207E+00 -0.10831E+01 0.11207E+00 -0.70019E+00 0.10241E+01 -0.10831E+01 0.10241E+01 -0.30212E+01 *** step number: 34 *** Deformation gradient in current step 0.32000000 -0.68000000 -0.68000000 0.68000000 1.68000000 0.68000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3910629393 Kirchhoff stress -0.34639E+00 0.13359E+00 -0.10943E+01 0.13359E+00 -0.64712E+00 0.10347E+01 -0.10943E+01 0.10347E+01 -0.32535E+01 *** step number: 35 *** Deformation gradient in current step 0.30000000 -0.70000000 -0.70000000 0.70000000 1.70000000 0.70000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.4277755360 Kirchhoff stress -0.30366E+00 0.14897E+00 -0.10931E+01 0.14897E+00 -0.59315E+00 0.10382E+01 -0.10931E+01 0.10382E+01 -0.34884E+01 *** step number: 36 *** Deformation gradient in current step 0.28000000 -0.72000000 -0.72000000 0.72000000 1.72000000 0.72000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.4646799126 Kirchhoff stress -0.25875E+00 0.15734E+00 -0.10821E+01 0.15734E+00 -0.52918E+00 0.10355E+01 -0.10821E+01 0.10355E+01 -0.37251E+01 *** step number: 37 *** Deformation gradient in current step 0.26000000 -0.74000000 -0.74000000 0.74000000 1.74000000 0.74000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5016148110 Kirchhoff stress -0.21374E+00 0.16153E+00 -0.10638E+01 0.16153E+00 -0.45775E+00 0.10249E+01 -0.10638E+01 0.10249E+01 -0.39605E+01 *** step number: 38 *** Deformation gradient in current step 0.24000000 -0.76000000 -0.76000000 0.76000000 1.76000000 0.76000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5383844528 Kirchhoff stress -0.17041E+00 0.16195E+00 -0.10370E+01 0.16195E+00 -0.38336E+00 0.10056E+01 -0.10370E+01 0.10056E+01 -0.41933E+01 *** step number: 39 *** Deformation gradient in current step 0.22000000 -0.78000000 -0.78000000 0.78000000 1.78000000 0.78000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5746555323 Kirchhoff stress -0.12461E+00 0.15873E+00 -0.99896E+00 0.15873E+00 -0.30707E+00 0.97693E+00 -0.99896E+00 0.97693E+00 -0.44205E+01 *** step number: 40 *** Deformation gradient in current step 0.20000000 -0.80000000 -0.80000000 0.80000000 1.80000000 0.80000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6100503905 Kirchhoff stress -0.84162E-01 0.15020E+00 -0.95176E+00 0.15020E+00 -0.22796E+00 0.93786E+00 -0.95176E+00 0.93786E+00 -0.46403E+01 *** step number: 41 *** Deformation gradient in current step 0.18000000 -0.82000000 -0.82000000 0.82000000 1.82000000 0.82000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6443474916 Kirchhoff stress -0.47483E-01 0.13543E+00 -0.89501E+00 0.13543E+00 -0.15307E+00 0.88646E+00 -0.89501E+00 0.88646E+00 -0.48503E+01 *** step number: 42 *** Deformation gradient in current step 0.16000000 -0.84000000 -0.84000000 0.84000000 1.84000000 0.84000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6767487935 Kirchhoff stress -0.75375E-02 0.11423E+00 -0.82507E+00 0.11423E+00 -0.95408E-01 0.82198E+00 -0.82507E+00 0.82198E+00 -0.50455E+01 *** step number: 43 *** Deformation gradient in current step 0.14000000 -0.86000000 -0.86000000 0.86000000 1.86000000 0.86000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7066982873 Kirchhoff stress 0.26230E-01 0.94550E-01 -0.74857E+00 0.94550E-01 -0.35980E-01 0.74872E+00 -0.74857E+00 0.74872E+00 -0.52278E+01 *** step number: 44 *** Deformation gradient in current step 0.12000000 -0.88000000 -0.88000000 0.88000000 1.88000000 0.88000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7339791049 Kirchhoff stress 0.57683E-01 0.74344E-01 -0.66287E+00 0.74344E-01 0.18259E-01 0.66458E+00 -0.66287E+00 0.66458E+00 -0.53933E+01 *** step number: 45 *** Deformation gradient in current step 0.10000000 -0.90000000 -0.90000000 0.90000000 1.90000000 0.90000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7580439957 Kirchhoff stress 0.87232E-01 0.54186E-01 -0.56798E+00 0.54186E-01 0.64138E-01 0.56959E+00 -0.56798E+00 0.56959E+00 -0.55394E+01 *** step number: 46 *** Deformation gradient in current step 0.08000000 -0.92000000 -0.92000000 0.92000000 1.92000000 0.92000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7784158967 Kirchhoff stress 0.11347E+00 0.35505E-01 -0.46544E+00 0.35505E-01 0.10150E+00 0.46616E+00 -0.46544E+00 0.46616E+00 -0.56626E+01 *** step number: 47 *** Deformation gradient in current step 0.06000000 -0.94000000 -0.94000000 0.94000000 1.94000000 0.94000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7947225602 Kirchhoff stress 0.13602E+00 0.19151E-01 -0.35669E+00 0.19151E-01 0.13103E+00 0.35697E+00 -0.35669E+00 0.35697E+00 -0.57589E+01 *** step number: 48 *** Deformation gradient in current step 0.04000000 -0.96000000 -0.96000000 0.96000000 1.96000000 0.96000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8066573429 Kirchhoff stress 0.15236E+00 0.76032E-02 -0.24155E+00 0.76032E-02 0.15103E+00 0.24166E+00 -0.24155E+00 0.24166E+00 -0.58293E+01 *** step number: 49 *** Deformation gradient in current step 0.02000000 -0.98000000 -0.98000000 0.98000000 1.98000000 0.98000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8139104097 Kirchhoff stress 0.16123E+00 0.19620E-02 -0.12121E+00 0.19620E-02 0.16117E+00 0.12123E+00 -0.12121E+00 0.12123E+00 -0.58736E+01 *** step number: 50 *** Deformation gradient in current step 0.00000000 -1.00000000 -1.00000000 1.00000000 2.00000000 1.00000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8163360623 Kirchhoff stress 0.16443E+00 0.16129E-16 0.36622E-14 0.16129E-16 0.16443E+00 -0.10218E-15 0.36622E-14 -0.10218E-15 -0.58883E+01 *** step number: 51 *** Deformation gradient in current step -0.02000000 -1.02000000 -1.02000000 1.02000000 2.02000000 1.02000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8139104097 Kirchhoff stress 0.16117E+00 0.19620E-02 0.12123E+00 0.19620E-02 0.16123E+00 -0.12121E+00 0.12123E+00 -0.12121E+00 -0.58736E+01 *** step number: 52 *** Deformation gradient in current step -0.04000000 -1.04000000 -1.04000000 1.04000000 2.04000000 1.04000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8066573429 Kirchhoff stress 0.15103E+00 0.76032E-02 0.24166E+00 0.76032E-02 0.15236E+00 -0.24155E+00 0.24166E+00 -0.24155E+00 -0.58293E+01 *** step number: 53 *** Deformation gradient in current step -0.06000000 -1.06000000 -1.06000000 1.06000000 2.06000000 1.06000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7947225602 Kirchhoff stress 0.13103E+00 0.19151E-01 0.35697E+00 0.19151E-01 0.13602E+00 -0.35669E+00 0.35697E+00 -0.35669E+00 -0.57589E+01 *** step number: 54 *** Deformation gradient in current step -0.08000000 -1.08000000 -1.08000000 1.08000000 2.08000000 1.08000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7784158967 Kirchhoff stress 0.10150E+00 0.35505E-01 0.46616E+00 0.35505E-01 0.11347E+00 -0.46544E+00 0.46616E+00 -0.46544E+00 -0.56626E+01 *** step number: 55 *** Deformation gradient in current step -0.10000000 -1.10000000 -1.10000000 1.10000000 2.10000000 1.10000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7580439957 Kirchhoff stress 0.64138E-01 0.54186E-01 0.56959E+00 0.54186E-01 0.87232E-01 -0.56798E+00 0.56959E+00 -0.56798E+00 -0.55394E+01 *** step number: 56 *** Deformation gradient in current step -0.12000000 -1.12000000 -1.12000000 1.12000000 2.12000000 1.12000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7339791049 Kirchhoff stress 0.18259E-01 0.74344E-01 0.66458E+00 0.74344E-01 0.57683E-01 -0.66287E+00 0.66458E+00 -0.66287E+00 -0.53933E+01 *** step number: 57 *** Deformation gradient in current step -0.14000000 -1.14000000 -1.14000000 1.14000000 2.14000000 1.14000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.7066982873 Kirchhoff stress -0.35980E-01 0.94550E-01 0.74872E+00 0.94550E-01 0.26230E-01 -0.74857E+00 0.74872E+00 -0.74857E+00 -0.52278E+01 *** step number: 58 *** Deformation gradient in current step -0.16000000 -1.16000000 -1.16000000 1.16000000 2.16000000 1.16000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6767487935 Kirchhoff stress -0.95408E-01 0.11423E+00 0.82198E+00 0.11423E+00 -0.75375E-02 -0.82507E+00 0.82198E+00 -0.82507E+00 -0.50455E+01 *** step number: 59 *** Deformation gradient in current step -0.18000000 -1.18000000 -1.18000000 1.18000000 2.18000000 1.18000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6443474916 Kirchhoff stress -0.15307E+00 0.13543E+00 0.88646E+00 0.13543E+00 -0.47483E-01 -0.89501E+00 0.88646E+00 -0.89501E+00 -0.48503E+01 *** step number: 60 *** Deformation gradient in current step -0.20000000 -1.20000000 -1.20000000 1.20000000 2.20000000 1.20000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.6100503905 Kirchhoff stress -0.22796E+00 0.15020E+00 0.93786E+00 0.15020E+00 -0.84162E-01 -0.95176E+00 0.93786E+00 -0.95176E+00 -0.46403E+01 *** step number: 61 *** Deformation gradient in current step -0.22000000 -1.22000000 -1.22000000 1.22000000 2.22000000 1.22000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5746555323 Kirchhoff stress -0.30707E+00 0.15873E+00 0.97693E+00 0.15873E+00 -0.12461E+00 -0.99896E+00 0.97693E+00 -0.99896E+00 -0.44205E+01 *** step number: 62 *** Deformation gradient in current step -0.24000000 -1.24000000 -1.24000000 1.24000000 2.24000000 1.24000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5383844528 Kirchhoff stress -0.38336E+00 0.16195E+00 0.10056E+01 0.16195E+00 -0.17041E+00 -0.10370E+01 0.10056E+01 -0.10370E+01 -0.41933E+01 *** step number: 63 *** Deformation gradient in current step -0.26000000 -1.26000000 -1.26000000 1.26000000 2.26000000 1.26000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5016148110 Kirchhoff stress -0.45775E+00 0.16153E+00 0.10249E+01 0.16153E+00 -0.21374E+00 -0.10638E+01 0.10249E+01 -0.10638E+01 -0.39605E+01 *** step number: 64 *** Deformation gradient in current step -0.28000000 -1.28000000 -1.28000000 1.28000000 2.28000000 1.28000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.4646799126 Kirchhoff stress -0.52918E+00 0.15734E+00 0.10355E+01 0.15734E+00 -0.25875E+00 -0.10821E+01 0.10355E+01 -0.10821E+01 -0.37251E+01 *** step number: 65 *** Deformation gradient in current step -0.30000000 -1.30000000 -1.30000000 1.30000000 2.30000000 1.30000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.4277755360 Kirchhoff stress -0.59315E+00 0.14897E+00 0.10382E+01 0.14897E+00 -0.30366E+00 -0.10931E+01 0.10382E+01 -0.10931E+01 -0.34884E+01 *** step number: 66 *** Deformation gradient in current step -0.32000000 -1.32000000 -1.32000000 1.32000000 2.32000000 1.32000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3910629393 Kirchhoff stress -0.64712E+00 0.13359E+00 0.10347E+01 0.13359E+00 -0.34639E+00 -0.10943E+01 0.10347E+01 -0.10943E+01 -0.32535E+01 *** step number: 67 *** Deformation gradient in current step -0.34000000 -1.34000000 -1.34000000 1.34000000 2.34000000 1.34000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3547472576 Kirchhoff stress -0.70019E+00 0.11207E+00 0.10241E+01 0.11207E+00 -0.39459E+00 -0.10831E+01 0.10241E+01 -0.10831E+01 -0.30212E+01 *** step number: 68 *** Deformation gradient in current step -0.36000000 -1.36000000 -1.36000000 1.36000000 2.36000000 1.36000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.3190060700 Kirchhoff stress -0.74758E+00 0.91145E-01 0.10062E+01 0.91145E-01 -0.44845E+00 -0.10653E+01 0.10062E+01 -0.10653E+01 -0.27979E+01 *** step number: 69 *** Deformation gradient in current step -0.38000000 -1.38000000 -1.38000000 1.38000000 2.38000000 1.38000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2838378042 Kirchhoff stress -0.78183E+00 0.66395E-01 0.98521E+00 0.66395E-01 -0.50128E+00 -0.10398E+01 0.98521E+00 -0.10398E+01 -0.25827E+01 *** step number: 70 *** Deformation gradient in current step -0.40000000 -1.40000000 -1.40000000 1.40000000 2.40000000 1.40000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2492415092 Kirchhoff stress -0.80100E+00 0.39634E-01 0.95977E+00 0.39634E-01 -0.54890E+00 -0.10074E+01 0.95977E+00 -0.10074E+01 -0.23716E+01 *** step number: 71 *** Deformation gradient in current step -0.42000000 -1.42000000 -1.42000000 1.42000000 2.42000000 1.42000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2152231937 Kirchhoff stress -0.80474E+00 0.12185E-01 0.92981E+00 0.12185E-01 -0.59228E+00 -0.96948E+00 0.92981E+00 -0.96948E+00 -0.21670E+01 *** step number: 72 *** Deformation gradient in current step -0.44000000 -1.44000000 -1.44000000 1.44000000 2.44000000 1.44000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1818044462 Kirchhoff stress -0.80232E+00 -0.11613E-01 0.89632E+00 -0.11613E-01 -0.63318E+00 -0.92700E+00 0.89632E+00 -0.92700E+00 -0.19712E+01 *** step number: 73 *** Deformation gradient in current step -0.46000000 -1.46000000 -1.46000000 1.46000000 2.46000000 1.46000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1490509873 Kirchhoff stress -0.78962E+00 -0.32363E-01 0.86004E+00 -0.32363E-01 -0.67033E+00 -0.88108E+00 0.86004E+00 -0.88108E+00 -0.17852E+01 *** step number: 74 *** Deformation gradient in current step -0.48000000 -1.48000000 -1.48000000 1.48000000 2.48000000 1.48000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.1169093631 Kirchhoff stress -0.76421E+00 -0.50052E-01 0.82184E+00 -0.50052E-01 -0.70244E+00 -0.83266E+00 0.82184E+00 -0.83266E+00 -0.16089E+01 *** step number: 75 *** Deformation gradient in current step -0.50000000 -1.50000000 -1.50000000 1.50000000 2.50000000 1.50000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.8533189476E-01 Kirchhoff stress -0.72858E+00 -0.63223E-01 0.78253E+00 -0.63223E-01 -0.72858E+00 -0.78253E+00 0.78253E+00 -0.78253E+00 -0.14420E+01 *** step number: 76 *** Deformation gradient in current step -0.52000000 -1.52000000 -1.52000000 1.52000000 2.52000000 1.52000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.5431599595E-01 Kirchhoff stress -0.68505E+00 -0.71265E-01 0.74185E+00 -0.71265E-01 -0.74764E+00 -0.73164E+00 0.74185E+00 -0.73164E+00 -0.12863E+01 *** step number: 77 *** Deformation gradient in current step -0.54000000 -1.54000000 -1.54000000 1.54000000 2.54000000 1.54000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = 0.2391441079E-01 Kirchhoff stress -0.63569E+00 -0.74239E-01 0.69959E+00 -0.74239E-01 -0.75831E+00 -0.68109E+00 0.69959E+00 -0.68109E+00 -0.11433E+01 *** step number: 78 *** Deformation gradient in current step -0.56000000 -1.56000000 -1.56000000 1.56000000 2.56000000 1.56000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.5781751476E-02 Kirchhoff stress -0.58125E+00 -0.72539E-01 0.65699E+00 -0.72539E-01 -0.75831E+00 -0.63129E+00 0.65699E+00 -0.63129E+00 -0.10120E+01 *** step number: 79 *** Deformation gradient in current step -0.58000000 -1.58000000 -1.58000000 1.58000000 2.58000000 1.58000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3469637312E-01 Kirchhoff stress -0.52043E+00 -0.64278E-01 0.61609E+00 -0.64278E-01 -0.74945E+00 -0.58196E+00 0.61609E+00 -0.58196E+00 -0.89060E+00 *** step number: 80 *** Deformation gradient in current step -0.60000000 -1.60000000 -1.60000000 1.60000000 2.60000000 1.60000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.6280202704E-01 Kirchhoff stress -0.46392E+00 -0.50241E-01 0.57483E+00 -0.50241E-01 -0.73490E+00 -0.53342E+00 0.57483E+00 -0.53342E+00 -0.77905E+00 *** step number: 81 *** Deformation gradient in current step -0.62000000 -1.62000000 -1.62000000 1.62000000 2.62000000 1.62000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.8978940843E-01 Kirchhoff stress -0.41062E+00 -0.36007E-01 0.53350E+00 -0.36007E-01 -0.71038E+00 -0.48720E+00 0.53350E+00 -0.48720E+00 -0.67719E+00 *** step number: 82 *** Deformation gradient in current step -0.64000000 -1.64000000 -1.64000000 1.64000000 2.64000000 1.64000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1155990254 Kirchhoff stress -0.35749E+00 -0.21022E-01 0.49347E+00 -0.21022E-01 -0.67868E+00 -0.44267E+00 0.49347E+00 -0.44267E+00 -0.58361E+00 *** step number: 83 *** Deformation gradient in current step -0.66000000 -1.66000000 -1.66000000 1.66000000 2.66000000 1.66000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1399813067 Kirchhoff stress -0.30549E+00 -0.39097E-02 0.45504E+00 -0.39097E-02 -0.63459E+00 -0.39838E+00 0.45504E+00 -0.39838E+00 -0.49820E+00 *** step number: 84 *** Deformation gradient in current step -0.68000000 -1.68000000 -1.68000000 1.68000000 2.68000000 1.68000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1629599630 Kirchhoff stress -0.25412E+00 0.15014E-01 0.41853E+00 0.15014E-01 -0.58818E+00 -0.35983E+00 0.41853E+00 -0.35983E+00 -0.42471E+00 *** step number: 85 *** Deformation gradient in current step -0.70000000 -1.70000000 -1.70000000 1.70000000 2.70000000 1.70000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.1843254641 Kirchhoff stress -0.21581E+00 0.29718E-01 0.38229E+00 0.29718E-01 -0.53419E+00 -0.32157E+00 0.38229E+00 -0.32157E+00 -0.35892E+00 *** step number: 86 *** Deformation gradient in current step -0.72000000 -1.72000000 -1.72000000 1.72000000 2.72000000 1.72000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2038298317 Kirchhoff stress -0.18133E+00 0.42247E-01 0.34726E+00 0.42247E-01 -0.47671E+00 -0.28530E+00 0.34726E+00 -0.28530E+00 -0.30045E+00 *** step number: 87 *** Deformation gradient in current step -0.74000000 -1.74000000 -1.74000000 1.74000000 2.74000000 1.74000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2214257378 Kirchhoff stress -0.15029E+00 0.52441E-01 0.31360E+00 0.52441E-01 -0.41735E+00 -0.25062E+00 0.31360E+00 -0.25062E+00 -0.24772E+00 *** step number: 88 *** Deformation gradient in current step -0.76000000 -1.76000000 -1.76000000 1.76000000 2.76000000 1.76000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2370691293 Kirchhoff stress -0.12391E+00 0.59586E-01 0.28111E+00 0.59586E-01 -0.35791E+00 -0.21785E+00 0.28111E+00 -0.21785E+00 -0.20096E+00 *** step number: 89 *** Deformation gradient in current step -0.78000000 -1.78000000 -1.78000000 1.78000000 2.78000000 1.78000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2507463494 Kirchhoff stress -0.10214E+00 0.63448E-01 0.24960E+00 0.63448E-01 -0.30003E+00 -0.18747E+00 0.24960E+00 -0.18747E+00 -0.16048E+00 *** step number: 90 *** Deformation gradient in current step -0.80000000 -1.80000000 -1.80000000 1.80000000 2.80000000 1.80000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2624762303 Kirchhoff stress -0.84493E-01 0.64392E-01 0.21904E+00 0.64392E-01 -0.24388E+00 -0.15970E+00 0.21904E+00 -0.15970E+00 -0.12611E+00 *** step number: 91 *** Deformation gradient in current step -0.82000000 -1.82000000 -1.82000000 1.82000000 2.82000000 1.82000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2722910382 Kirchhoff stress -0.70215E-01 0.62296E-01 0.18974E+00 0.62296E-01 -0.19111E+00 -0.13473E+00 0.18974E+00 -0.13473E+00 -0.97411E-01 *** step number: 92 *** Deformation gradient in current step -0.84000000 -1.84000000 -1.84000000 1.84000000 2.84000000 1.84000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2804501579 Kirchhoff stress -0.55950E-01 0.54932E-01 0.16422E+00 0.54932E-01 -0.15215E+00 -0.11314E+00 0.16422E+00 -0.11314E+00 -0.72117E-01 *** step number: 93 *** Deformation gradient in current step -0.86000000 -1.86000000 -1.86000000 1.86000000 2.86000000 1.86000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2871698915 Kirchhoff stress -0.48720E-01 0.47648E-01 0.13634E+00 0.47648E-01 -0.11568E+00 -0.93259E-01 0.13634E+00 -0.93259E-01 -0.54363E-01 *** step number: 94 *** Deformation gradient in current step -0.88000000 -1.88000000 -1.88000000 1.88000000 2.88000000 1.88000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2923855690 Kirchhoff stress -0.42833E-01 0.39150E-01 0.11034E+00 0.39150E-01 -0.84112E-01 -0.75796E-01 0.11034E+00 -0.75796E-01 -0.40239E-01 *** step number: 95 *** Deformation gradient in current step -0.90000000 -1.90000000 -1.90000000 1.90000000 2.90000000 1.90000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2963434549 Kirchhoff stress -0.36436E-01 0.29701E-01 0.87364E-01 0.29701E-01 -0.58767E-01 -0.60321E-01 0.87364E-01 -0.60321E-01 -0.27764E-01 *** step number: 96 *** Deformation gradient in current step -0.92000000 -1.92000000 -1.92000000 1.92000000 2.92000000 1.92000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.2992455460 Kirchhoff stress -0.29791E-01 0.19916E-01 0.65661E-01 0.19916E-01 -0.39263E-01 -0.46183E-01 0.65661E-01 -0.46183E-01 -0.17851E-01 *** step number: 97 *** Deformation gradient in current step -0.94000000 -1.94000000 -1.94000000 1.94000000 2.94000000 1.94000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3012436339 Kirchhoff stress -0.21898E-01 0.10076E-01 0.44108E-01 0.10076E-01 -0.24542E-01 -0.33012E-01 0.44108E-01 -0.33012E-01 -0.10720E-01 *** step number: 98 *** Deformation gradient in current step -0.96000000 -1.96000000 -1.96000000 1.96000000 2.96000000 1.96000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3025201204 Kirchhoff stress -0.12525E-01 0.32409E-02 0.25579E-01 0.32409E-02 -0.14947E-01 -0.22591E-01 0.25579E-01 -0.22591E-01 -0.51823E-02 *** step number: 99 *** Deformation gradient in current step -0.98000000 -1.98000000 -1.98000000 1.98000000 2.98000000 1.98000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3033727508 Kirchhoff stress 0.32165E-03 0.10543E-02 0.13447E-01 0.10543E-02 -0.87332E-02 -0.13716E-01 0.13447E-01 -0.13716E-01 -0.97726E-03 *** step number: 100 *** Deformation gradient in current step -1.00000000 -2.00000000 -2.00000000 2.00000000 3.00000000 2.00000000 0.00000000 0.00000000 1.00000000 energy density (per reference volume) = -0.3038167507 Kirchhoff stress 0.22450E-07 0.41112E-15 -0.88270E-15 0.41112E-15 0.22450E-07 0.13339E-14 -0.88270E-15 0.13339E-14 0.22450E-07 * CB-KIM calculation successfully completed