[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" 3.3059795945882797 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30597959458828e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 135.8364023038131 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725029415 "si-unit" "kg / m s^2" "si-value" 135836402303.8131 } "c12" { "source-value" 146.66577681857652 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619955205 "si-unit" "kg / m s^2" "si-value" 146665776818.5765 } "c44" { "source-value" 57.63192842002267 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681295915 "si-unit" "kg / m s^2" "si-value" 57631928420.02267 } "excess" { "source-value" 0.024266636996141382 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133083 "si-unit" "kg / m s^2" "si-value" 24266636.99614138 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" 3.3059795945882797 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30597959458828e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 143.05598531365536 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578858969 "si-unit" "kg / m s^2" "si-value" 143055985313.6554 } } ]