{ "title" "Elastic constants for AlCr in AFLOW crystal prototype A45B7_mC104_12_a8i7j_cij at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCr in AFLOW crystal prototype A45B7_mC104_12_a8i7j_cij, 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_A45B7_mC104_12_a8i7j_cij_AlCr__TE_255185999296_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Al" "Cr"] "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" }