{ "title" "Elastic constants for ClHO in AFLOW crystal prototype AB13C6_oP80_57_c_d6e_2d2e at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of ClHO in AFLOW crystal prototype AB13C6_oP80_57_c_d6e_2d2e, 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_AB13C6_oP80_57_c_d6e_2d2e_ClHO__TE_335568832686_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cl" "H" "O"] "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" }