{ "title" "Elastic constants for NiTi in AFLOW crystal prototype A3B_hP16_194_gh_ac at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of NiTi in AFLOW crystal prototype A3B_hP16_194_gh_ac, 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_A3B_hP16_194_gh_ac_NiTi__TE_023987580452_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Ni" "Ti"] "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" }