{ "title" "Elastic constants for HN in AFLOW crystal prototype AB_oP32_53_2i_abegh at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of HN in AFLOW crystal prototype AB_oP32_53_2i_abegh, 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_AB_oP32_53_2i_abegh_HN__TE_525843343707_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["H" "N"] "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" }