[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.639085099101067 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.639085099101067e-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" 174.63486986461456 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250926145 "si-unit" "kg / m s^2" "si-value" 174634869864.6146 } "c12" { "source-value" 127.87804699127959 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361973881 "si-unit" "kg / m s^2" "si-value" 127878046991.2796 } "c44" { "source-value" 84.53779344066078 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813397418 "si-unit" "kg / m s^2" "si-value" 84537793440.66078 } "excess" { "source-value" 0.045534083910809486 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133204 "si-unit" "kg / m s^2" "si-value" 45534083.91080949 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.639085099101067 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.639085099101067e-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" 143.46365461572458 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578859353 "si-unit" "kg / m s^2" "si-value" 143463654615.7246 } } ]