[ { "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 5.968601569533349 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.968601569533349e-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" 73.16346706255862 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724927327 "si-unit" "kg / m s^2" "si-value" 73163467062.55862 } "c12" { "source-value" 79.31185005048124 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361917941 "si-unit" "kg / m s^2" "si-value" 79311850050.48125 } "c44" { "source-value" -92549.4093005283 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828319561293 "si-unit" "kg / m s^2" "si-value" -92549409300528.31 } "excess" { "source-value" 1.0619207693927961 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913906 "si-unit" "kg / m s^2" "si-value" 1061920769.392796 } } { "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 5.968601569533349 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.968601569533349e-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" 77.26238905450703 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578797094 "si-unit" "kg / m s^2" "si-value" 77262389054.50702 } } ]