[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.049493193626404 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049493193626404e-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" 114.83886884162256 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724995214 "si-unit" "kg / m s^2" "si-value" 114838868841.6226 } "c12" { "source-value" 62.640015707192795 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361898738 "si-unit" "kg / m s^2" "si-value" 62640015707.19279 } "c44" { "source-value" 31.60237856070921 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681253515 "si-unit" "kg / m s^2" "si-value" 31602378560.70921 } "excess" { "source-value" 1.5987211554605778e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 15.98721155460578 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.049493193626404 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049493193626404e-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" 80.03963341866938 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578799706 "si-unit" "kg / m s^2" "si-value" 80039633418.66939 } } ]