[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.860195450484753 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860195450484753e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 225.01307239039866 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307251746764 "si-unit" "kg / m s^2" "si-value" 225013072390.3987 } "c12" { "source-value" 141.82307311356888 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619899425 "si-unit" "kg / m s^2" "si-value" 141823073113.5689 } "c44" { "source-value" 128.59086012794413 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814115002 "si-unit" "kg / m s^2" "si-value" 128590860127.9441 } "excess" { "source-value" 0.07835723255431827 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133395 "si-unit" "kg / m s^2" "si-value" 78357232.55431826 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.860195450484753 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860195450484753e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 169.55307287251213 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788838885 "si-unit" "kg / m s^2" "si-value" 169553072872.5121 } } ]