[ { "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" 4.165284737944603 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.165284737944603e-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" 208.60042366289474 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725147942 "si-unit" "kg / m s^2" "si-value" 208600423662.8947 } "c12" { "source-value" 110.15385417088964 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361953465 "si-unit" "kg / m s^2" "si-value" 110153854170.8896 } "c44" { "source-value" 110.1566880341078 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813814728 "si-unit" "kg / m s^2" "si-value" 110156688034.1078 } "excess" { "source-value" 6.243849881572271e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 62438.49881572271 } } { "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" 4.165284737944603 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.165284737944603e-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" 142.96937733489133 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578858888 "si-unit" "kg / m s^2" "si-value" 142969377334.8913 } } ]