[ { "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" 3.9946083426475534 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.994608342647554e-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" 54.04003151633443 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724896178 "si-unit" "kg / m s^2" "si-value" 54040031516.33443 } "c12" { "source-value" 33.25800393957719 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361864895 "si-unit" "kg / m s^2" "si-value" 33258003939.57719 } "c44" { "source-value" 36.66722452230646 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812617654 "si-unit" "kg / m s^2" "si-value" 36667224522.30647 } "excess" { "source-value" 0.061610607282616386 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091333 "si-unit" "kg / m s^2" "si-value" 61610607.28261638 } } { "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" 3.9946083426475534 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.994608342647554e-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" 40.18534646516294 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787622245 "si-unit" "kg / m s^2" "si-value" 40185346465.16293 } } ]