[ { "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" 3.615000367164612 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000367164612e-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" 169.50166037040466 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725084254 "si-unit" "kg / m s^2" "si-value" 169501660370.4047 } "c12" { "source-value" 122.04827384941875 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967165 "si-unit" "kg / m s^2" "si-value" 122048273849.4187 } "c44" { "source-value" 76.40067509649053 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813264877 "si-unit" "kg / m s^2" "si-value" 76400675096.49052 } "excess" { "source-value" 0.07523168517784738 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133378 "si-unit" "kg / m s^2" "si-value" 75231685.17784739 } } { "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" 3.615000367164612 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000367164612e-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" 137.86606935641404 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788540885 "si-unit" "kg / m s^2" "si-value" 137866069356.414 } } ]