{ "title" "Elastic constants for AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag, this Test computes the corresponding elastic constants using numerical differentiation. By default, the Hessian of the energy w.r.t. strain is used, but depending on the computed uncertainty and material symmetry violation, the Jacobian of the stress w.r.t. strain may be used instead." "extended-id" "ElasticConstantsCrystal_A6B4C13_cI46_217_d_c_ag_AlCaO__TE_400729106337_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Al" "Ca" "O"] "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311" "executables" ["runner"] "domain" "openkim.org" "matching-models" ["standard-models"] "disclaimer" "Computer generated" "kim-api-version" "2.3" "publication-year" "2024" }