{ "title" "Elastic constants for Fe in AFLOW crystal prototype A_tP28_136_f2ij at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of Fe in AFLOW crystal prototype A_tP28_136_f2ij, 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_A_tP28_136_f2ij_Fe__TE_059154664046_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Fe"] "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" }