{ "title" "Elastic constants for CrO in AFLOW crystal prototype A3B8_mC22_12_ai_2ij at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CrO in AFLOW crystal prototype A3B8_mC22_12_ai_2ij, 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_A3B8_mC22_12_ai_2ij_CrO__TE_695518653653_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" }