[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" 2.417325720191002 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.417325720191002e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 271.1896443911978 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725249894 "si-unit" "kg / m s^2" "si-value" 271189644391.1978 } "c12" { "source-value" -5.921189464668806e-10 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361826588 "si-unit" "kg / m s^2" "si-value" -0.5921189464668806 } "c44" { "source-value" -16.77533339187927 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812293633 "si-unit" "kg / m s^2" "si-value" -16775333391.87927 } "excess" { "source-value" 0.0 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.0 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" 2.417325720191002 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.417325720191002e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 90.39654813000453 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788094454 "si-unit" "kg / m s^2" "si-value" 90396548130.00453 } } ]