[ { "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" 2.860342010855675 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860342010855675e-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" 185.61369439203963 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725110498 "si-unit" "kg / m s^2" "si-value" 185613694392.0396 } "c12" { "source-value" 187.53405365091055 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362042593 "si-unit" "kg / m s^2" "si-value" 187534053650.9106 } "c44" { "source-value" 165.05269948833583 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814708932 "si-unit" "kg / m s^2" "si-value" 165052699488.3358 } "excess" { "source-value" 0.047043008747741 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133213 "si-unit" "kg / m s^2" "si-value" 47043008.747741 } } { "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" 2.860342010855675 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860342010855675e-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" 186.89393389795356 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789001975 "si-unit" "kg / m s^2" "si-value" 186893933897.9536 } } ]