{ "title" "Elastic constants for AlCaSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCaSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d, 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_A2BC2_hP5_164_d_a_d_AlCaSi__TE_993824906562_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Al" "Ca" "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" }