{ "title" "Elastic constants for NbNi in AFLOW crystal prototype A7B6_hR13_166_a3c_h at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of NbNi in AFLOW crystal prototype A7B6_hR13_166_a3c_h, 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_A7B6_hR13_166_a3c_h_NbNi__TE_291555746629_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Nb" "Ni"] "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" }