[ { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 6.521527183055884 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.521527183055884e-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" 10.184680527087046 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724824742 "si-unit" "kg / m s^2" "si-value" 10184680527.08705 } "c12" { "source-value" 26.370700338661027 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361856964 "si-unit" "kg / m s^2" "si-value" 26370700338.66103 } "c44" { "source-value" -445143.24157120805 "source-unit" "GPa" "source-std-uncert-value" 0.0018339834062975735 "si-unit" "kg / m s^2" "si-value" -445143241571208.1 } "excess" { "source-value" 4.227843931097399 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809157295 "si-unit" "kg / m s^2" "si-value" 4227843931.097399 } } { "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 6.521527183055884 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.521527183055884e-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" 20.9753604014697 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157874416 "si-unit" "kg / m s^2" "si-value" 20975360401.4697 } } ]