[ { "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" 4.080000087618828 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080000087618828e-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" 201.6545496133393 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725136628 "si-unit" "kg / m s^2" "si-value" 201654549613.3393 } "c12" { "source-value" 169.69255944117802 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362022043 "si-unit" "kg / m s^2" "si-value" 169692559441.178 } "c44" { "source-value" 45.65914226840501 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681276412 "si-unit" "kg / m s^2" "si-value" 45659142268.40501 } "excess" { "source-value" 8.881784197003209e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.8881784197003209 } } { "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" 4.080000087618828 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080000087618828e-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" 180.34655616523176 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157889404 "si-unit" "kg / m s^2" "si-value" 180346556165.2318 } } ]