{ "title" "Elastic constants for NiZr in AFLOW crystal prototype A23B6_cF116_225_ad2f_e at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of NiZr in AFLOW crystal prototype A23B6_cF116_225_ad2f_e, 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_A23B6_cF116_225_ad2f_e_NiZr__TE_715669074360_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Ni" "Zr"] "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" }