[ { "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" 3.6583663821220402 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65836638212204e-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" 68.01378434970768 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072491894 "si-unit" "kg / m s^2" "si-value" 68013784349.70768 } "c12" { "source-value" 40.323046321815895 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361873034 "si-unit" "kg / m s^2" "si-value" 40323046321.8159 } "c44" { "source-value" 9.77207724384359 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812179558 "si-unit" "kg / m s^2" "si-value" 9772077243.84359 } "excess" { "source-value" 0.05990066428060831 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133287 "si-unit" "kg / m s^2" "si-value" 59900664.2806083 } } { "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" 3.6583663821220402 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65836638212204e-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" 49.553292331113155 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578771036 "si-unit" "kg / m s^2" "si-value" 49553292331.11316 } } ]