{ "title" "Elastic constants for BCN in AFLOW crystal prototype A2BC_oP8_51_ef_e_f at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of BCN in AFLOW crystal prototype A2BC_oP8_51_ef_e_f, 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_A2BC_oP8_51_ef_e_f_BCN__TE_027114599046_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["B" "C" "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" }