[ { "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" 4.050000405311585 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000405311585e-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" 113.48547224327525 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724993008 "si-unit" "kg / m s^2" "si-value" 113485472243.2753 } "c12" { "source-value" 61.2629905259034 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897152 "si-unit" "kg / m s^2" "si-value" 61262990525.9034 } "c44" { "source-value" 32.13151619249404 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812543774 "si-unit" "kg / m s^2" "si-value" 32131516192.49404 } "excess" { "source-value" 0.20546108340610447 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913413 "si-unit" "kg / m s^2" "si-value" 205461083.4061045 } } { "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" 4.050000405311585 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000405311585e-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" 78.670484431694 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578798419 "si-unit" "kg / m s^2" "si-value" 78670484431.694 } } ]