{ "title" "Elastic constants for CdHg in AFLOW crystal prototype A2B_tI6_139_e_a at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of CdHg in AFLOW crystal prototype A2B_tI6_139_e_a, 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_tI6_139_e_a_CdHg__TE_185560278810_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Cd" "Hg"] "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" }