[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.65840482711792 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65840482711792e-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" 84.56737399481507 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724945905 "si-unit" "kg / m s^2" "si-value" 84567373994.81508 } "c12" { "source-value" 49.30627434993224 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361883381 "si-unit" "kg / m s^2" "si-value" 49306274349.93224 } "c44" { "source-value" 20.965430776347556 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812361886 "si-unit" "kg / m s^2" "si-value" 20965430776.34756 } "excess" { "source-value" 0.045950050727356674 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913321 "si-unit" "kg / m s^2" "si-value" 45950050.72735667 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.65840482711792 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65840482711792e-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" 61.05997423155984 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578781856 "si-unit" "kg / m s^2" "si-value" 61059974231.55984 } } ]