[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.926045514643193 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.926045514643194e-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" 257.35477916590554 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725227357 "si-unit" "kg / m s^2" "si-value" 257354779165.9055 } "c12" { "source-value" 194.07169590335857 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362050122 "si-unit" "kg / m s^2" "si-value" 194071695903.3586 } "c44" { "source-value" 61.55080273530202 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813022983 "si-unit" "kg / m s^2" "si-value" 61550802735.30202 } "excess" { "source-value" 0.17956303836427093 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133976 "si-unit" "kg / m s^2" "si-value" 179563038.3642709 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.926045514643193 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.926045514643194e-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" 215.1660569908742 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578926785 "si-unit" "kg / m s^2" "si-value" 215166056990.8742 } } ]