[ { "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" 4.050000071525574 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000071525574e-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" 114.01823698226725 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724993877 "si-unit" "kg / m s^2" "si-value" 114018236982.2673 } "c12" { "source-value" 62.04906426474529 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361898058 "si-unit" "kg / m s^2" "si-value" 62049064264.74529 } "c44" { "source-value" 32.011264239506154 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812541814 "si-unit" "kg / m s^2" "si-value" 32011264239.50615 } "excess" { "source-value" 0.19725173376158586 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134076 "si-unit" "kg / m s^2" "si-value" 197251733.7615859 } } { "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" 4.050000071525574 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000071525574e-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" 79.3721218372526 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578799078 "si-unit" "kg / m s^2" "si-value" 79372121837.25261 } } ]