{"creator" "Junhao Li" "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "description" "Computes the elastic constants for hcp crystals by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported." "doi" "10.25950/2e4b93d9" "domain" "openkim.org" "executables" ["runner" "test_template/runner"] "extended-id" "ElasticConstantsHexagonal__TD_612503193866_003" "kim-api-version" "2.0" "maintainer-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt"] "publication-year" "2018" "simulator-name" "ase" "source-citations" [{"address" "New York" "author" "H.B. Huntington" "doi" "10.1016/S0081-1947(08)60553-6" "journal" "Solid State Physics" "pages" "213--351" "publisher" "Academic Press" "recordkey" "TD_612503193866_003a" "recordtype" "article" "title" "The Elastic Constants of Crystals" "volume" "7" "year" "1958"}] "title" "Elastic constants for hexagonal crystals at zero temperature v003"}