[ { "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" 3.559655904769898 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.559655904769898e-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" 315.01240457868414 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725321278 "si-unit" "kg / m s^2" "si-value" 315012404578.6841 } "c12" { "source-value" 174.59434678609216 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362027689 "si-unit" "kg / m s^2" "si-value" 174594346786.0922 } "c44" { "source-value" 174.61008033907115 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814864613 "si-unit" "kg / m s^2" "si-value" 174610080339.0711 } "excess" { "source-value" 2.5165055224842425e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.516505522484243 } } { "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" 3.559655904769898 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.559655904769898e-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" 221.40036605028948 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578932649 "si-unit" "kg / m s^2" "si-value" 221400366050.2895 } } ]