[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" 7.009360194206238 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.009360194206238e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 0.6664965801496935 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724809235 "si-unit" "kg / m s^2" "si-value" 666496580.1496935 } "c12" { "source-value" 0.40457813058761866 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361827055 "si-unit" "kg / m s^2" "si-value" 404578130.5876186 } "c44" { "source-value" 0.4045956648556377 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812026972 "si-unit" "kg / m s^2" "si-value" 404595664.8556377 } "excess" { "source-value" 3.75856753128391e-12 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.00375856753128391 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" 7.009360194206238 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.009360194206238e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 0.49188428044164356 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724895 "si-unit" "kg / m s^2" "si-value" 491884280.4416435 } } ]