[ { "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" 3.492127545177937 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.492127545177937e-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" 120.96003489269276 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725005184 "si-unit" "kg / m s^2" "si-value" 120960034892.6928 } "c12" { "source-value" 91.06923329703058 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361931484 "si-unit" "kg / m s^2" "si-value" 91069233297.03058 } "c44" { "source-value" 51.20817150007247 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812854513 "si-unit" "kg / m s^2" "si-value" 51208171500.07246 } "excess" { "source-value" 0.08388979703494169 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133425 "si-unit" "kg / m s^2" "si-value" 83889797.03494169 } } { "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" 3.492127545177937 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.492127545177937e-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" 101.03283382891796 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157881945 "si-unit" "kg / m s^2" "si-value" 101032833828.918 } } ]