[ { "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" 2.84364253282547 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.84364253282547e-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" 245.80651051196125 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725208549 "si-unit" "kg / m s^2" "si-value" 245806510511.9612 } "c12" { "source-value" 141.44593906987086 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361989509 "si-unit" "kg / m s^2" "si-value" 141445939069.8708 } "c44" { "source-value" 103.69116304996511 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813709408 "si-unit" "kg / m s^2" "si-value" 103691163049.9651 } "excess" { "source-value" 0.2166946588093314 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134193 "si-unit" "kg / m s^2" "si-value" 216694658.8093314 } } { "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" 2.84364253282547 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.84364253282547e-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" 176.23279621723432 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578890172 "si-unit" "kg / m s^2" "si-value" 176232796217.2343 } } ]