[ { "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" 2.836713165044785 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.836713165044785e-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" 282.8054493787048 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307252688155 "si-unit" "kg / m s^2" "si-value" 282805449378.7048 } "c12" { "source-value" 118.28789171396419 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361962834 "si-unit" "kg / m s^2" "si-value" 118287891713.9642 } "c44" { "source-value" 118.28824700427988 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813947183 "si-unit" "kg / m s^2" "si-value" 118288247004.2799 } "excess" { "source-value" 6.350475700857294e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 635.0475700857294 } } { "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" 2.836713165044785 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.836713165044785e-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" 173.12707760221105 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157888725 "si-unit" "kg / m s^2" "si-value" 173127077602.2111 } } ]