[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" 9.156642958521843 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.156642958521843e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 0.4675864283174118 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808914 "si-unit" "kg / m s^2" "si-value" 467586428.3174118 } "c12" { "source-value" 0.6053441013778991 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827287 "si-unit" "kg / m s^2" "si-value" 605344101.377899 } "c44" { "source-value" -0.15711541155163924 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812022939 "si-unit" "kg / m s^2" "si-value" -157115411.5516393 } "excess" { "source-value" 0.0004845569220753626 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 484556.9220753626 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" 9.156642958521843 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.156642958521843e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 0.5594248770244032 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724959 "si-unit" "kg / m s^2" "si-value" 559424877.0244032 } } ]