[ { "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" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 3.960756525397301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.960756525397301e-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" 37.01113907984259 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072486844 "si-unit" "kg / m s^2" "si-value" 37011139079.84259 } "c12" { "source-value" 21.116483897877075 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618509105 "si-unit" "kg / m s^2" "si-value" 21116483897.87708 } "c44" { "source-value" 21.160373417913913 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812365063 "si-unit" "kg / m s^2" "si-value" 21160373417.91391 } "excess" { "source-value" 0.02099989796870705 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133065 "si-unit" "kg / m s^2" "si-value" 20999897.96870705 } } { "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" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" 3.960756525397301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.960756525397301e-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" 26.41470229186558 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578749274 "si-unit" "kg / m s^2" "si-value" 26414702291.86558 } } ]