[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Bk" "Bk" "Bk" "Bk" ] } "a" { "source-value" 4.620880007743836 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.620880007743836e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 778.0443064056241 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072607551 "si-unit" "kg / m s^2" "si-value" 778044306405.624 } "c12" { "source-value" 443.90852271675686 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362337887 "si-unit" "kg / m s^2" "si-value" 443908522716.7568 } "c44" { "source-value" 444.8311590908729 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826819266253 "si-unit" "kg / m s^2" "si-value" 444831159090.8729 } "excess" { "source-value" 0.4414577293351865 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135485 "si-unit" "kg / m s^2" "si-value" 441457729.3351865 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Bk" "Bk" "Bk" "Bk" ] } "a" { "source-value" 4.620880007743836 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.620880007743836e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 555.2871172797126 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579246651 "si-unit" "kg / m s^2" "si-value" 555287117279.7125 } } ]