---------------------------------------------------------------------------- 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 * CB-KIM calculation successfully completed