{ "title" "Elastic constants for BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b, 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_A5B12CD12_oC120_41_a2b_6b_a_6b_BHNO__TE_371331749942_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["B" "H" "N" "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" }