[ { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.1529443442821545 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.152944344282155e-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" 168.4297569060449 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725082507 "si-unit" "kg / m s^2" "si-value" 168429756906.0449 } "c12" { "source-value" 134.79672164432216 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361981849 "si-unit" "kg / m s^2" "si-value" 134796721644.3222 } "c44" { "source-value" 44.344868245903335 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812742714 "si-unit" "kg / m s^2" "si-value" 44344868245.90334 } "excess" { "source-value" 0.020097646880050654 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913306 "si-unit" "kg / m s^2" "si-value" 20097646.88005066 } } { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.1529443442821545 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.152944344282155e-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" 146.00773339822973 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578861746 "si-unit" "kg / m s^2" "si-value" 146007733398.2297 } } ]