[ { "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" 4.0499994456768045 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999445676805e-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" 116.80834909398845 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249984225 "si-unit" "kg / m s^2" "si-value" 116808349093.9884 } "c12" { "source-value" 60.112751469900616 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361895828 "si-unit" "kg / m s^2" "si-value" 60112751469.90061 } "c44" { "source-value" 31.71031226372148 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681253691 "si-unit" "kg / m s^2" "si-value" 31710312263.72148 } "excess" { "source-value" 0.026444782956035005 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133096 "si-unit" "kg / m s^2" "si-value" 26444782.956035 } } { "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" 4.0499994456768045 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999445676805e-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" 79.01128401126323 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157879874 "si-unit" "kg / m s^2" "si-value" 79011284011.26323 } } ]