{ "title" "Elastic constants for BHN in AFLOW crystal prototype AB6C_oP16_31_a_2a2b_a at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of BHN in AFLOW crystal prototype AB6C_oP16_31_a_2a2b_a, 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_AB6C_oP16_31_a_2a2b_a_BHN__TE_309473327200_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["B" "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" }