{ "title" "Elastic constants for CrO in AFLOW crystal prototype A8B21_aP29_2_4i_a10i at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CrO in AFLOW crystal prototype A8B21_aP29_2_4i_a10i, 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_A8B21_aP29_2_4i_a10i_CrO__TE_468274803039_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cr" "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" }