[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.050004702806472 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050004702806472e-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" 113.74075746912281 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724993426 "si-unit" "kg / m s^2" "si-value" 113740757469.1228 } "c12" { "source-value" 61.49652579051149 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897421 "si-unit" "kg / m s^2" "si-value" 61496525790.51149 } "c44" { "source-value" 31.855938130642304 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812539281 "si-unit" "kg / m s^2" "si-value" 31855938130.6423 } "excess" { "source-value" 0.12595972650097004 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913367 "si-unit" "kg / m s^2" "si-value" 125959726.50097 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.050004702806472 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050004702806472e-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" 78.91126968338193 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578798645 "si-unit" "kg / m s^2" "si-value" 78911269683.38193 } } ]