{ "title" "Elastic constants for CsFLi in AFLOW crystal prototype A2B5C3_oC20_38_ab_3a2b_2ab at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CsFLi in AFLOW crystal prototype A2B5C3_oC20_38_ab_3a2b_2ab, 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_A2B5C3_oC20_38_ab_3a2b_2ab_CsFLi__TE_286658309749_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cs" "F" "Li"] "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" }