{ "title" "Elastic constants for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k, 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_A12BC19_hP64_194_ab2fk_c_efh2k_AlCaO__TE_277418071857_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" }