{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.62475 0.12475 0.12475 ] [ 0.62475 0.37525 0.37525 ] [ 0.25 0.75 0.75 ] [ 0.87525 0.37525 0.12475 ] [ 0.87525 0.12475 0.37525 ] [ 0.62475 0.62475 0.62475 ] [ 0.62475 0.87525 0.87525 ] [ 0.25 0.25 0.25 ] [ 0.87525 0.87525 0.62475 ] [ 0.87525 0.62475 0.87525 ] [ 0.12475 0.12475 0.62475 ] [ 0.12475 0.37525 0.87525 ] [ 0.75 0.75 0.25 ] [ 0.37525 0.37525 0.62475 ] [ 0.37525 0.12475 0.87525 ] [ 0.12475 0.62475 0.12475 ] [ 0.12475 0.87525 0.37525 ] [ 0.75 0.25 0.75 ] [ 0.37525 0.87525 0.12475 ] [ 0.37525 0.62475 0.37525 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.89094987733 "source-unit" "angstrom" } "c11" { "source-value" 123.32695726694072 "source-unit" "GPa" } "c12" { "source-value" 86.63883446123138 "source-unit" "GPa" } "c44" { "source-value" 34.61456042333333 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }