[ { "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" 3.614728152751923 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614728152751923e-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" 168.3332339534513 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725082351 "si-unit" "kg / m s^2" "si-value" 168333233953.4513 } "c12" { "source-value" 126.98606725320808 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361972853 "si-unit" "kg / m s^2" "si-value" 126986067253.2081 } "c44" { "source-value" 75.36727067282696 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681324804 "si-unit" "kg / m s^2" "si-value" 75367270672.82697 } "excess" { "source-value" 0.10694341738099417 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913356 "si-unit" "kg / m s^2" "si-value" 106943417.3809942 } } { "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" 3.614728152751923 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614728152751923e-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" 140.76845615328915 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578856819 "si-unit" "kg / m s^2" "si-value" 140768456153.2892 } } ]