[ { "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" 3.6133156493306164 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315649330617e-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" 176.14118894771116 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072509507 "si-unit" "kg / m s^2" "si-value" 176141188947.7112 } "c12" { "source-value" 124.90986970450899 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361970462 "si-unit" "kg / m s^2" "si-value" 124909869704.509 } "c44" { "source-value" 81.77532781951794 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813352422 "si-unit" "kg / m s^2" "si-value" 81775327819.51794 } "excess" { "source-value" 1.3707553610708284e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 13707.55361070828 } } { "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" 3.6133156493306164 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315649330617e-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" 141.9869761189097 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578857965 "si-unit" "kg / m s^2" "si-value" 141986976118.9097 } } ]