{ "title" "Elastic constants for AlCaSi in AFLOW crystal prototype ABC_hP18_186_3b_3a_3b at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCaSi in AFLOW crystal prototype ABC_hP18_186_3b_3a_3b, 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_ABC_hP18_186_3b_3a_3b_AlCaSi__TE_445636267684_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" }