[ { "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" 3.614958965778353 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614958965778353e-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" 196.2951591903283 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725127898 "si-unit" "kg / m s^2" "si-value" 196295159190.3283 } "c12" { "source-value" 122.07454499349369 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967196 "si-unit" "kg / m s^2" "si-value" 122074544993.4937 } "c44" { "source-value" 92.80533479055968 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813532087 "si-unit" "kg / m s^2" "si-value" 92805334790.55968 } "excess" { "source-value" 0.04754775965547827 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133217 "si-unit" "kg / m s^2" "si-value" 47547759.65547827 } } { "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" 3.614958965778353 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614958965778353e-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" 146.8147497257719 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788625046 "si-unit" "kg / m s^2" "si-value" 146814749725.7719 } } ]