{ "title" "Elastic constants for AlCTi in AFLOW crystal prototype AB2C3_hP12_194_b_f_af at zero temperature and pressure v000" "description" "Given the zero-pressure, zero-temperature structure of AlCTi in AFLOW crystal prototype AB2C3_hP12_194_b_f_af, 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_AB2C3_hP12_194_b_f_af_AlCTi__TE_898346770657_000" "test-driver" "ElasticConstantsCrystal__TD_034002468289_000" "species" ["Al" "C" "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" }