{ "title" "Elastic constants for MgO in AFLOW crystal prototype AB_oI32_72_2j_2j at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of MgO in AFLOW crystal prototype AB_oI32_72_2j_2j, 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_AB_oI32_72_2j_2j_MgO__TE_503761773288_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Mg" "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" }