[ { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.369513213634491 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.369513213634491e-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" -392937.42563376925 "source-unit" "GPa" "source-std-uncert-value" 0.007335931364891766 "si-unit" "kg / m s^2" "si-value" -392937425633769.2 } "c12" { "source-value" 20.941944666993933 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361850711 "si-unit" "kg / m s^2" "si-value" 20941944666.99393 } "c44" { "source-value" -294698.6024963713 "source-unit" "GPa" "source-std-uncert-value" 0.001833983161237723 "si-unit" "kg / m s^2" "si-value" -294698602496371.3 } "excess" { "source-value" 49047.59420263564 "source-unit" "GPa" "source-std-uncert-value" 0.002593643209160025 "si-unit" "kg / m s^2" "si-value" 49047594202635.64 } } { "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.369513213634491 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.369513213634491e-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" -130965.18058147842 "source-unit" "GPa" "source-std-uncert-value" 0.004235401701921716 "si-unit" "kg / m s^2" "si-value" -130965180581478.4 } } ]