{"creator" "Junhao Li"
 "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
 "description" "Measures the hexagonal elastic constants for hcp structure 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 and the coordinate of the 2nd atom in the normed basis."
 "disclaimer" "Computes elastic constants with numerical deriviatives of the strain of the unit cell."
 "domain" "openkim.org"
 "extended-id" "ElasticConstantsHexagonal__TD_612503193866_002"
 "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-hexagonal-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_612503193866_002a"
                      "recordtype" "article"
                      "title" "The Elastic Constants of Crystals"
                      "volume" "7"
                      "year" "1958"}]
 "title" "Elastic constants for hexagonal crystals at zero temperature"}