{ "title" "Elastic constants for CuPt in AFLOW crystal prototype AB7_cF32_225_a_bd at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CuPt in AFLOW crystal prototype AB7_cF32_225_a_bd, 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_AB7_cF32_225_a_bd_CuPt__TE_254252818894_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cu" "Pt"] "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" }