[ { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.070110480487348 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.070110480487349e-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" 201.67436096589776 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725136661 "si-unit" "kg / m s^2" "si-value" 201674360965.8978 } "c12" { "source-value" 169.55188529862104 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636202188 "si-unit" "kg / m s^2" "si-value" 169551885298.621 } "c44" { "source-value" 46.088387973607524 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812771116 "si-unit" "kg / m s^2" "si-value" 46088387973.60752 } "excess" { "source-value" 0.058232068648572534 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913328 "si-unit" "kg / m s^2" "si-value" 58232068.64857253 } } { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.070110480487348 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.070110480487349e-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" 180.25937718771326 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578893957 "si-unit" "kg / m s^2" "si-value" 180259377187.7133 } } ]