[ { "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" 3.615034341812134 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615034341812134e-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" 169.17750592726512 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725083727 "si-unit" "kg / m s^2" "si-value" 169177505927.2651 } "c12" { "source-value" 124.7591296547332 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361970288 "si-unit" "kg / m s^2" "si-value" 124759129654.7332 } "c44" { "source-value" 77.24156656065442 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681327857 "si-unit" "kg / m s^2" "si-value" 77241566560.65442 } "excess" { "source-value" 0.09734722420756975 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133503 "si-unit" "kg / m s^2" "si-value" 97347224.20756975 } } { "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" 3.615034341812134 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615034341812134e-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" 139.5652550789105 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578855687 "si-unit" "kg / m s^2" "si-value" 139565255078.9105 } } ]