[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 5.974953216314317 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.974953216314317e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 5827954.73614512 "source-unit" "GPa" "source-std-uncert-value" 0.00733594021798907 "si-unit" "kg / m s^2" "si-value" 5827954736145120.0 } "c12" { "source-value" 72.94344398509749 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361912641 "si-unit" "kg / m s^2" "si-value" 72943443985.09749 } "c44" { "source-value" 2185468.1714158957 "source-unit" "GPa" "source-std-uncert-value" 0.0018339862411195335 "si-unit" "kg / m s^2" "si-value" 2185468171415896.0 } "excess" { "source-value" 735.7129899086534 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181336995 "si-unit" "kg / m s^2" "si-value" 735712989908.6534 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 5.974953216314317 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.974953216314317e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 1942700.2076776968 "source-unit" "GPa" "source-std-uncert-value" 0.004235403405735581 "si-unit" "kg / m s^2" "si-value" 1942700207677697.0 } } ]