[ { "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" 2.389520652592182 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.389520652592182e-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" 974.738198831419 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726395907 "si-unit" "kg / m s^2" "si-value" 974738198831.4191 } "c12" { "source-value" 109.72701035607743 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361952974 "si-unit" "kg / m s^2" "si-value" 109727010356.0774 } "c44" { "source-value" 71.50372697496874 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813185108 "si-unit" "kg / m s^2" "si-value" 71503726974.96875 } "excess" { "source-value" 4.440892098501604e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.4440892098501604 } } { "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" 2.389520652592182 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.389520652592182e-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" 398.06407318119125 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579098792 "si-unit" "kg / m s^2" "si-value" 398064073181.1912 } } ]