[ { "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" 6.081264071166516 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.081264071166516e-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" -1021039.3181700078 "source-unit" "GPa" "source-std-uncert-value" 0.007335932388013492 "si-unit" "kg / m s^2" "si-value" -1021039318170008.0 } "c12" { "source-value" 42.87093764773783 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875968 "si-unit" "kg / m s^2" "si-value" 42870937647.73783 } "c44" { "source-value" -382902.5312394017 "source-unit" "GPa" "source-std-uncert-value" 0.0018339833049134413 "si-unit" "kg / m s^2" "si-value" -382902531239401.8 } "excess" { "source-value" 2.499042812132419 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809147334 "si-unit" "kg / m s^2" "si-value" 2499042812.132419 } } { "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" 6.081264071166516 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.081264071166516e-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" -340317.8587649041 "source-unit" "GPa" "source-std-uncert-value" 0.004235401898835352 "si-unit" "kg / m s^2" "si-value" -340317858764904.1 } } ]