{ "title" "Elastic constants for BHO in AFLOW crystal prototype ABC2_cP96_218_i_i_2i at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of BHO in AFLOW crystal prototype ABC2_cP96_218_i_i_2i, 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_ABC2_cP96_218_i_i_2i_BHO__TE_692016211302_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["B" "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" }