{ "contributor-id" "e2ada8d8-70b2-4ffc-843e-a69df752ed91" "description" "This test is used to test lattice invariance shear of bcc Cu based on cb-kim code. Initial guess of lattice parameter is 2, shear direction vector is along [-1 1 0], shear plane normal vector is along [1 1 1], shear period is 1, relaxation optional key is non-relax. The output in 'result.edn' will be strain energy density. More output items, such as Kirchhoff stress, relaxed lattice vectors/parameter can be found in 'cbkim.out'." "domain" "openkim.org" "extended-id" "LatticeInvariantShearPathCubicCrystalCBKIM_bcc_Cu__TE_946706801883_000" "kim-api-version" "1.6" "maintainer-id" "e2ada8d8-70b2-4ffc-843e-a69df752ed91" "matching-models" [ "standard-models" ] "pipeline-api-version" "1.0" "publication-year" "2016" "species" [ "Cu" ] "test-driver" "LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001" "title" "Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for bcc Cu" }