[ { "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" 2.863848514854908 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863848514854908e-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" 181.1192492003188 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725103177 "si-unit" "kg / m s^2" "si-value" 181119249200.3188 } "c12" { "source-value" 166.9429198732917 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362018876 "si-unit" "kg / m s^2" "si-value" 166942919873.2917 } "c44" { "source-value" 167.54042718714047 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814749455 "si-unit" "kg / m s^2" "si-value" 167540427187.1405 } "excess" { "source-value" 0.2981792934046906 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913466 "si-unit" "kg / m s^2" "si-value" 298179293.4046906 } } { "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" 2.863848514854908 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863848514854908e-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" 171.6683629823007 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578885878 "si-unit" "kg / m s^2" "si-value" 171668362982.3007 } } ]