{ "title" "Elastic constants for FeN in AFLOW crystal prototype A2B_mC18_12_ij_ah at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of FeN in AFLOW crystal prototype A2B_mC18_12_ij_ah, 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_A2B_mC18_12_ij_ah_FeN__TE_467827128581_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Fe" "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" }