[ { "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" 3.653344042599202 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.653344042599202e-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" 173.25404360061734 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725090366 "si-unit" "kg / m s^2" "si-value" 173254043600.6173 } "c12" { "source-value" 116.9580048934451 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361961302 "si-unit" "kg / m s^2" "si-value" 116958004893.4451 } "c44" { "source-value" 117.86746040641788 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681394033 "si-unit" "kg / m s^2" "si-value" 117867460406.4179 } "excess" { "source-value" 0.45329188225206035 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135555 "si-unit" "kg / m s^2" "si-value" 453291882.2520604 } } { "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" 3.653344042599202 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.653344042599202e-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" 135.72335112916917 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578852074 "si-unit" "kg / m s^2" "si-value" 135723351129.1692 } } ]