[ { "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 4.268991279602052 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.268991279602053e-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" 386.2311299491143 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725437286 "si-unit" "kg / m s^2" "si-value" 386231129949.1143 } "c12" { "source-value" 410.0064843288894 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362298839 "si-unit" "kg / m s^2" "si-value" 410006484328.8894 } "c44" { "source-value" 20.443954286209735 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681235339 "si-unit" "kg / m s^2" "si-value" 20443954286.20974 } "excess" { "source-value" 0.024670375964325083 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133087 "si-unit" "kg / m s^2" "si-value" 24670375.96432508 } } { "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 4.268991279602052 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.268991279602053e-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" 402.0813662022977 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157910257 "si-unit" "kg / m s^2" "si-value" 402081366202.2977 } } ]