[ { "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" [ "Nb" "Nb" ] } "a" { "source-value" 3.3024269565939903 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30242695659399e-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" 251.92550534338292 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725218515 "si-unit" "kg / m s^2" "si-value" 251925505343.3829 } "c12" { "source-value" 133.5402621147173 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619804015 "si-unit" "kg / m s^2" "si-value" 133540262114.7173 } "c44" { "source-value" 31.503853378474222 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812533548 "si-unit" "kg / m s^2" "si-value" 31503853378.47422 } "excess" { "source-value" 0.0383608712203046 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38360871.2203046 } } { "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" [ "Nb" "Nb" ] } "a" { "source-value" 3.3024269565939903 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.30242695659399e-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" 173.00200985760583 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578887132 "si-unit" "kg / m s^2" "si-value" 173002009857.6058 } } ]