[ { "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" 4.080053436756135 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053436756135e-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" 186.35421112027313 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725111706 "si-unit" "kg / m s^2" "si-value" 186354211120.2731 } "c12" { "source-value" 157.3404044670559 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362007815 "si-unit" "kg / m s^2" "si-value" 157340404467.0559 } "c44" { "source-value" 42.22044780115753 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681270811 "si-unit" "kg / m s^2" "si-value" 42220447801.15753 } "excess" { "source-value" 0.07412216647870881 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913337 "si-unit" "kg / m s^2" "si-value" 74122166.47870882 } } { "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" 4.080053436756135 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053436756135e-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" 167.01167335146164 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578881499 "si-unit" "kg / m s^2" "si-value" 167011673351.4616 } } ]