{ "title" "Elastic constants for CsILi in AFLOW crystal prototype A2B5C3_mC20_12_i_a2i_ci at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CsILi in AFLOW crystal prototype A2B5C3_mC20_12_i_a2i_ci, 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_mC20_12_i_a2i_ci_CsILi__TE_520057494446_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cs" "I" "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" }