[ { "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" 169.8630096651873 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725084843 "si-unit" "kg / m s^2" "si-value" 169863009665.1873 } "c12" { "source-value" 122.09887461862309 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967224 "si-unit" "kg / m s^2" "si-value" 122098874618.6231 } "c44" { "source-value" 76.62129426505408 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813268466 "si-unit" "kg / m s^2" "si-value" 76621294265.05408 } "excess" { "source-value" 0.07566016272758473 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133378 "si-unit" "kg / m s^2" "si-value" 75660162.72758473 } } { "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" 138.0202529674778 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578854234 "si-unit" "kg / m s^2" "si-value" 138020252967.4778 } } ]