[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" 3.8782314062118526 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.878231406211853e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 3867.6599257891544 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307311081975 "si-unit" "kg / m s^2" "si-value" 3867659925789.154 } "c12" { "source-value" 2206.6702248797897 "source-unit" "GPa" "source-std-uncert-value" 0.005187286364368251 "si-unit" "kg / m s^2" "si-value" 2206670224879.79 } "c44" { "source-value" 2211.256645675532 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826848039623 "si-unit" "kg / m s^2" "si-value" 2211256645675.532 } "excess" { "source-value" 2.194487445687808 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914558 "si-unit" "kg / m s^2" "si-value" 2194487445.687808 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" 3.8782314062118526 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.878231406211853e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 2760.3334585162447 "source-unit" "GPa" "source-std-uncert-value" 0.004235401581320383 "si-unit" "kg / m s^2" "si-value" 2760333458516.245 } } ]