{ "title" "Elastic constants for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh, 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_A2B3C6_cP33_221_cd_ag_fh_AlCaO__TE_366599989843_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" }