[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 5.786749072372914 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.786749072372915e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 36.274113660073645 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072486724 "si-unit" "kg / m s^2" "si-value" 36274113660.07365 } "c12" { "source-value" 31.76492734506779 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361863176 "si-unit" "kg / m s^2" "si-value" 31764927345.06779 } "c44" { "source-value" 2.197453405979991 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812056176 "si-unit" "kg / m s^2" "si-value" 2197453405.979991 } "excess" { "source-value" 0.038770687475310234 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38770687.47531024 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 5.786749072372914 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.786749072372915e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 33.26798945006974 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578755719 "si-unit" "kg / m s^2" "si-value" 33267989450.06974 } } ]