[ { "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" 4.032082714140415 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082714140415e-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" 117.95486729170308 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072500029 "si-unit" "kg / m s^2" "si-value" 117954867291.7031 } "c12" { "source-value" 62.2060569342764 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361898238 "si-unit" "kg / m s^2" "si-value" 62206056934.2764 } "c44" { "source-value" 36.93449963930802 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812622006 "si-unit" "kg / m s^2" "si-value" 36934499639.30802 } "excess" { "source-value" 0.1204110623061922 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913364 "si-unit" "kg / m s^2" "si-value" 120411062.3061922 } } { "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" 4.032082714140415 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032082714140415e-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" 80.78899372008529 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157880041 "si-unit" "kg / m s^2" "si-value" 80788993720.08528 } } ]