{ "title" "Elastic constants for AlFeSi in AFLOW crystal prototype A3B2C_cF96_227_f_e_c at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlFeSi in AFLOW crystal prototype A3B2C_cF96_227_f_e_c, 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_A3B2C_cF96_227_f_e_c_AlFeSi__TE_666811758983_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Al" "Fe" "Si"] "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" }