[ { "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" 4.061213478446007 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.061213478446007e-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" 97.10543746790286 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249663275 "si-unit" "kg / m s^2" "si-value" 97105437467.90286 } "c12" { "source-value" 65.37886240596217 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361901892 "si-unit" "kg / m s^2" "si-value" 65378862405.96217 } "c44" { "source-value" 66.00855383473964 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813095596 "si-unit" "kg / m s^2" "si-value" 66008553834.73965 } "excess" { "source-value" 0.31407355175860424 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134752 "si-unit" "kg / m s^2" "si-value" 314073551.7586042 } } { "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" 4.061213478446007 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.061213478446007e-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" 75.95438742660906 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578795863 "si-unit" "kg / m s^2" "si-value" 75954387426.60905 } } ]