[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.638568460941315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.638568460941315e-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" 168.02485902963255 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725081847 "si-unit" "kg / m s^2" "si-value" 168024859029.6325 } "c12" { "source-value" 131.33597029719658 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361977863 "si-unit" "kg / m s^2" "si-value" 131335970297.1966 } "c44" { "source-value" 86.07855403251347 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813422516 "si-unit" "kg / m s^2" "si-value" 86078554032.51347 } "excess" { "source-value" 0.07088894464029871 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913335 "si-unit" "kg / m s^2" "si-value" 70888944.64029871 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.638568460941315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.638568460941315e-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" 143.56559987467523 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578859449 "si-unit" "kg / m s^2" "si-value" 143565599874.6752 } } ]