---------------------------------------------------------------------------- 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: Stillinger-Weber silicon ground state and compression **setting factor** * Default globaltol set to 0.10000E-15 CG global tolerance = 0.10000E-15 **reading material data** Material name 'Au-Cd(B2)' material information Bravais lattice vectors: a1 = 3.50000 0.00000 0.00000 a2 = 0.00000 3.50000 0.00000 a3 = 0.00000 0.00000 3.50000 Basis atoms: Number of basis atoms = 2 spec mass reference shift vector 79 1.00 0.00000 0.00000 0.00000 48 1.00 1.75000 1.75000 1.75000 **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 * Error: at line 227 in mod_poten_kim.F90 Message: kim_api_string_init KIM_STATUS_MSG: unsuccessful completion KIM Model name: LennardJones612_UniversalShifted__MO_959249795837_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. Match failed; either process_dEdr or virial is required