[ { "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" 3.9946166351437573 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.994616635143758e-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" 54.02890176972861 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072489616 "si-unit" "kg / m s^2" "si-value" 54028901769.72861 } "c12" { "source-value" 33.25267566131414 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361864891 "si-unit" "kg / m s^2" "si-value" 33252675661.31414 } "c44" { "source-value" 36.66124922575261 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812617558 "si-unit" "kg / m s^2" "si-value" 36661249225.75261 } "excess" { "source-value" 0.06160743293294438 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091333 "si-unit" "kg / m s^2" "si-value" 61607432.93294438 } } { "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" 3.9946166351437573 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.994616635143758e-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" 40.17808436411896 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787622185 "si-unit" "kg / m s^2" "si-value" 40178084364.11896 } } ]