[ { "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" 6.081264081597329 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.081264081597329e-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" -1021039.2934524872 "source-unit" "GPa" "source-std-uncert-value" 0.007335932388013453 "si-unit" "kg / m s^2" "si-value" -1021039293452487.0 } "c12" { "source-value" 42.87092733272973 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875968 "si-unit" "kg / m s^2" "si-value" 42870927332.72973 } "c44" { "source-value" -382902.52206556004 "source-unit" "GPa" "source-std-uncert-value" 0.0018339833049134265 "si-unit" "kg / m s^2" "si-value" -382902522065560.1 } "excess" { "source-value" 2.499092867684715 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809147334 "si-unit" "kg / m s^2" "si-value" 2499092867.684715 } } { "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" 6.081264081597329 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.081264081597329e-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" -340317.85053260723 "source-unit" "GPa" "source-std-uncert-value" 0.0042354018988353444 "si-unit" "kg / m s^2" "si-value" -340317850532607.2 } } ]