[ { "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" 4.024845376610756 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.024845376610756e-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" 113.81541465148497 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724993546 "si-unit" "kg / m s^2" "si-value" 113815414651.485 } "c12" { "source-value" 61.71144034747712 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897669 "si-unit" "kg / m s^2" "si-value" 61711440347.47712 } "c44" { "source-value" 31.546150867393013 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812534237 "si-unit" "kg / m s^2" "si-value" 31546150867.39301 } "excess" { "source-value" 0.1451236584238167 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133777 "si-unit" "kg / m s^2" "si-value" 145123658.4238167 } } { "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" 4.024845376610756 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.024845376610756e-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" 79.0794317821464 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578798803 "si-unit" "kg / m s^2" "si-value" 79079431782.14641 } } ]