[ { "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" 169.9282052669934 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725084949 "si-unit" "kg / m s^2" "si-value" 169928205266.9934 } "c12" { "source-value" 122.6506346198671 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967859 "si-unit" "kg / m s^2" "si-value" 122650634619.8671 } "c44" { "source-value" 76.40839896040937 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813264998 "si-unit" "kg / m s^2" "si-value" 76408398960.40938 } "excess" { "source-value" 0.10588984237597726 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913355 "si-unit" "kg / m s^2" "si-value" 105889842.3759773 } } { "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" 138.40982483557585 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788546 "si-unit" "kg / m s^2" "si-value" 138409824835.5758 } } ]