[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.863657325506211 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863657325506212e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 242.98114597762935 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307252039456 "si-unit" "kg / m s^2" "si-value" 242981145977.6294 } "c12" { "source-value" 137.99361481169782 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361985531 "si-unit" "kg / m s^2" "si-value" 137993614811.6978 } "c44" { "source-value" 122.06687619604479 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681400873 "si-unit" "kg / m s^2" "si-value" 122066876196.0448 } "excess" { "source-value" 0.07403184065781186 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913337 "si-unit" "kg / m s^2" "si-value" 74031840.65781187 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.863657325506211 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863657325506212e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 172.98945853367496 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157888712 "si-unit" "kg / m s^2" "si-value" 172989458533.675 } } ]