[ { "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" 4.049998886883259 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049998886883259e-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" 113.53717085607343 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249930925 "si-unit" "kg / m s^2" "si-value" 113537170856.0734 } "c12" { "source-value" 61.56669830364509 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897502 "si-unit" "kg / m s^2" "si-value" 61566698303.64509 } "c44" { "source-value" 45.37306988884216 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812759465 "si-unit" "kg / m s^2" "si-value" 45373069888.84216 } "excess" { "source-value" 1.4802973661672014e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.480297366167201 } } { "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" 4.049998886883259 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049998886883259e-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" 78.89018915445453 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578798624 "si-unit" "kg / m s^2" "si-value" 78890189154.45453 } } ]