[ { "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" 3.2563789635896683 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.256378963589668e-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" 145.17877254034656 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725044634 "si-unit" "kg / m s^2" "si-value" 145178772540.3466 } "c12" { "source-value" 171.4133473450515 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362024024 "si-unit" "kg / m s^2" "si-value" 171413347345.0515 } "c44" { "source-value" 54.77805622849297 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812912663 "si-unit" "kg / m s^2" "si-value" 54778056228.49297 } "excess" { "source-value" 2.3684757858675224e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.368475785867522 } } { "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" 3.2563789635896683 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.256378963589668e-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" 162.6684890768165 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578877414 "si-unit" "kg / m s^2" "si-value" 162668489076.8165 } } ]