[ { "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" 6.057359576225282 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.057359576225281e-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" 70.98550394899566 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072492378 "si-unit" "kg / m s^2" "si-value" 70985503948.99565 } "c12" { "source-value" 75.68018619224885 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361913759 "si-unit" "kg / m s^2" "si-value" 75680186192.24886 } "c44" { "source-value" -3741.462477980583 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826872965205 "si-unit" "kg / m s^2" "si-value" -3741462477980.583 } "excess" { "source-value" 0.047696199286435675 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133217 "si-unit" "kg / m s^2" "si-value" 47696199.28643568 } } { "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" 6.057359576225282 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.057359576225281e-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" 74.11529211116445 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578794135 "si-unit" "kg / m s^2" "si-value" 74115292111.16444 } } ]