[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.613580609858036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613580609858036e-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" 170.1534127587598 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250853165 "si-unit" "kg / m s^2" "si-value" 170153412758.7598 } "c12" { "source-value" 122.78914961075178 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361968019 "si-unit" "kg / m s^2" "si-value" 122789149610.7518 } "c44" { "source-value" 76.5333063458812 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813267034 "si-unit" "kg / m s^2" "si-value" 76533306345.8812 } "excess" { "source-value" 0.1060304462008566 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133556 "si-unit" "kg / m s^2" "si-value" 106030446.2008566 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.613580609858036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613580609858036e-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" 138.57723732675444 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578854758 "si-unit" "kg / m s^2" "si-value" 138577237326.7545 } } ]