{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.182844 0.182844 0.817156 ] [ 0.817156 0.817156 0.817156 ] [ 0.817156 0.182844 0.182844 ] [ 0.182844 0.817156 0.182844 ] [ 0.682844 0.682844 0.317156 ] [ 0.317156 0.317156 0.317156 ] [ 0.317156 0.682844 0.682844 ] [ 0.682844 0.317156 0.682844 ] [ 0.860397 0.860397 0.139603 ] [ 0.139603 0.860397 0.860397 ] [ 0.139603 0.139603 0.139603 ] [ 0.860397 0.139603 0.860397 ] [ 0.360397 0.360397 0.639603 ] [ 0.639603 0.360397 0.360397 ] [ 0.639603 0.639603 0.639603 ] [ 0.360397 0.639603 0.360397 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.47751399484 "source-unit" "angstrom" } "c11" { "source-value" 207.10238645517666 "source-unit" "GPa" } "c12" { "source-value" 93.79477976561407 "source-unit" "GPa" } "c44" { "source-value" 48.258738323333326 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }