[ { "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" 4.078000083565712 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.078000083565712e-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" 187.5370738945213 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725113632 "si-unit" "kg / m s^2" "si-value" 187537073894.5213 } "c12" { "source-value" 157.75431359980197 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362008291 "si-unit" "kg / m s^2" "si-value" 157754313599.802 } "c44" { "source-value" 43.32212454210219 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812726059 "si-unit" "kg / m s^2" "si-value" 43322124542.10219 } "excess" { "source-value" 0.0555291328474661 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913326 "si-unit" "kg / m s^2" "si-value" 55529132.8474661 } } { "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" 4.078000083565712 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.078000083565712e-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" 167.6819003647084 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578882129 "si-unit" "kg / m s^2" "si-value" 167681900364.7084 } } ]