[ { "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" 2.394839696586132 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.394839696586132e-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" 264.17326797680727 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725238464 "si-unit" "kg / m s^2" "si-value" 264173267976.8073 } "c12" { "source-value" 31.126162982774716 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636186244 "si-unit" "kg / m s^2" "si-value" 31126162982.77472 } "c44" { "source-value" -71.5520325771537 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813185895 "si-unit" "kg / m s^2" "si-value" -71552032577.1537 } "excess" { "source-value" 1.036208156317041e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.036208156317041 } } { "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" 2.394839696586132 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.394839696586132e-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" 108.80853131411891 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788267614 "si-unit" "kg / m s^2" "si-value" 108808531314.1189 } } ]