[ { "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" 4.068500626087188 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.068500626087188e-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" 229.43237480241723 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725181876 "si-unit" "kg / m s^2" "si-value" 229432374802.4172 } "c12" { "source-value" 178.7332252974177 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362032455 "si-unit" "kg / m s^2" "si-value" 178733225297.4177 } "c44" { "source-value" 54.7161209444804 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812911653 "si-unit" "kg / m s^2" "si-value" 54716120944.4804 } "excess" { "source-value" 0.12360636188667583 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133655 "si-unit" "kg / m s^2" "si-value" 123606361.8866758 } } { "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" 4.068500626087188 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.068500626087188e-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" 195.6329417990842 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578908416 "si-unit" "kg / m s^2" "si-value" 195632941799.0842 } } ]