[ { "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 3.884858903288844 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.884858903288844e-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" 246.65445749984596 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725209928 "si-unit" "kg / m s^2" "si-value" 246654457499.8459 } "c12" { "source-value" 200.47330407580603 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362057496 "si-unit" "kg / m s^2" "si-value" 200473304075.806 } "c44" { "source-value" 56.159767764198 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812935169 "si-unit" "kg / m s^2" "si-value" 56159767764.198 } "excess" { "source-value" 0.23831430147804192 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134314 "si-unit" "kg / m s^2" "si-value" 238314301.4780419 } } { "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 3.884858903288844 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.884858903288844e-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" 215.86702188381935 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578927445 "si-unit" "kg / m s^2" "si-value" 215867021883.8193 } } ]