[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.623951092362404 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.623951092362404e-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" 160.02195867300125 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725068812 "si-unit" "kg / m s^2" "si-value" 160021958673.0013 } "c12" { "source-value" 161.0100441803415 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362012041 "si-unit" "kg / m s^2" "si-value" 161010044180.3415 } "c44" { "source-value" 84.81003120543654 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813401855 "si-unit" "kg / m s^2" "si-value" 84810031205.43654 } "excess" { "source-value" 0.02565588689644563 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913309 "si-unit" "kg / m s^2" "si-value" 25655886.89644563 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.623951092362404 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.623951092362404e-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" 160.68068234456143 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788755445 "si-unit" "kg / m s^2" "si-value" 160680682344.5614 } } ]