{ "title" "Elastic constants for BC in AFLOW crystal prototype AB5_oI12_44_a_b2c at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of BC in AFLOW crystal prototype AB5_oI12_44_a_b2c, 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_AB5_oI12_44_a_b2c_BC__TE_980554718986_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["B" "C"] "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" }