[ { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.1687071621418 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.1687071621418e-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" 184.06909447088802 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725107983 "si-unit" "kg / m s^2" "si-value" 184069094470.888 } "c12" { "source-value" 154.8485087449914 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362004945 "si-unit" "kg / m s^2" "si-value" 154848508744.9914 } "c44" { "source-value" 17.74717165818546 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812309463 "si-unit" "kg / m s^2" "si-value" 17747171658.18546 } "excess" { "source-value" 5.033011044968485e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5.033011044968485 } } { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.1687071621418 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.1687071621418e-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" 164.58870398695694 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157887922 "si-unit" "kg / m s^2" "si-value" 164588703986.9569 } } ]