[ { "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" 4.032082033157349 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082033157349e-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" 117.96883928504319 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250003124 "si-unit" "kg / m s^2" "si-value" 117968839285.0432 } "c12" { "source-value" 62.21228457727029 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361898245 "si-unit" "kg / m s^2" "si-value" 62212284577.27029 } "c44" { "source-value" 36.9349998748647 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812622014 "si-unit" "kg / m s^2" "si-value" 36934999874.8647 } "excess" { "source-value" 0.12041175153264588 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913364 "si-unit" "kg / m s^2" "si-value" 120411751.5326459 } } { "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" 4.032082033157349 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082033157349e-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" 80.79780281319458 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578800419 "si-unit" "kg / m s^2" "si-value" 80797802813.19458 } } ]