[ { "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" 4.050000011920929 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000011920929e-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" 116.80937909022491 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724998424 "si-unit" "kg / m s^2" "si-value" 116809379090.2249 } "c12" { "source-value" 60.114345174032245 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618958286 "si-unit" "kg / m s^2" "si-value" 60114345174.03224 } "c44" { "source-value" 31.710188874570733 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812536909 "si-unit" "kg / m s^2" "si-value" 31710188874.57073 } "excess" { "source-value" 0.026444441747492105 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133096 "si-unit" "kg / m s^2" "si-value" 26444441.7474921 } } { "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" 4.050000011920929 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000011920929e-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" 79.01268981276313 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157879874 "si-unit" "kg / m s^2" "si-value" 79012689812.76312 } } ]