[ { "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" 3.639087498188019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.639087498188019e-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" 174.45828429178368 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725092328 "si-unit" "kg / m s^2" "si-value" 174458284291.7837 } "c12" { "source-value" 127.80954875427115 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361973802 "si-unit" "kg / m s^2" "si-value" 127809548754.2711 } "c44" { "source-value" 84.5395646796681 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813397449 "si-unit" "kg / m s^2" "si-value" 84539564679.6681 } "excess" { "source-value" 0.045534955361868946 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133204 "si-unit" "kg / m s^2" "si-value" 45534955.36186895 } } { "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" 3.639087498188019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.639087498188019e-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" 143.35912726677532 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788592545 "si-unit" "kg / m s^2" "si-value" 143359127266.7753 } } ]