{ "title" "Elastic constants for CuPd in AFLOW crystal prototype A3B_tP28_99_4a3b7c_3a4b at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CuPd in AFLOW crystal prototype A3B_tP28_99_4a3b7c_3a4b, 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_A3B_tP28_99_4a3b7c_3a4b_CuPd__TE_919862711425_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cu" "Pd"] "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" }