{"creator" "Junhao Li" "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "description" "Measures the cubic elastic constants for some common crystal types (fcc, bcc, sc) by calculating the hessian of the energy density with respect to strain. Error estimate is reported due to the numerical differentiation.\n\nThis version fixes the number of repeats in the species key." "disclaimer" "Computes elastic constants with numerical deriviatives of the strain of the unit cell." "domain" "openkim.org" "extended-id" "ElasticConstantsCubic__TD_011862047401_003" "kim-api-version" "1.9.0" "maintainer-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "pipeline-api-version" "1.0" "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt"] "publication-year" "2017" "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_011862047401_003a" "recordtype" "article" "title" "The Elastic Constants of Crystals" "volume" "7" "year" "1958"}] "title" "Elastic constants for cubic crystals at zero temperature"}