[ { "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" 2.8553125262260437 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312526226044e-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" 243.3274774489827 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307252045085 "si-unit" "kg / m s^2" "si-value" 243327477448.9827 } "c12" { "source-value" 145.04931628426118 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361993657 "si-unit" "kg / m s^2" "si-value" 145049316284.2612 } "c44" { "source-value" 116.3084677295383 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813914932 "si-unit" "kg / m s^2" "si-value" 116308467729.5383 } "excess" { "source-value" 0.08147287659337975 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133412 "si-unit" "kg / m s^2" "si-value" 81472876.59337975 } } { "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" 2.8553125262260437 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312526226044e-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" 177.80870333916835 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578891652 "si-unit" "kg / m s^2" "si-value" 177808703339.1683 } } ]