[ { "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" 4.210700303316116 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.210700303316116e-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" 56.32108066767747 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248998945 "si-unit" "kg / m s^2" "si-value" 56321080667.67747 } "c12" { "source-value" 30.47728355288331 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618616935 "si-unit" "kg / m s^2" "si-value" 30477283552.88331 } "c44" { "source-value" 9.146454900357051 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812169367 "si-unit" "kg / m s^2" "si-value" 9146454900.357052 } "excess" { "source-value" 0.06823493651591725 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913334 "si-unit" "kg / m s^2" "si-value" 68234936.51591726 } } { "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" 4.210700303316116 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.210700303316116e-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" 39.09188259114803 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578761197 "si-unit" "kg / m s^2" "si-value" 39091882591.14803 } } ]