[ { "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" 4.153700065612796 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.153700065612796e-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" 167.9561835646141 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725081737 "si-unit" "kg / m s^2" "si-value" 167956183564.6141 } "c12" { "source-value" 134.90826952014731 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361981977 "si-unit" "kg / m s^2" "si-value" 134908269520.1473 } "c44" { "source-value" 44.25605283702407 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812741266 "si-unit" "kg / m s^2" "si-value" 44256052837.02407 } "excess" { "source-value" 0.020966417861131837 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133065 "si-unit" "kg / m s^2" "si-value" 20966417.86113184 } } { "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" 4.153700065612796 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.153700065612796e-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" 145.9242408683029 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578861667 "si-unit" "kg / m s^2" "si-value" 145924240868.3029 } } ]