[ { "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" 5.689550295472145 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.689550295472145e-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" 454.3134024582619 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725548186 "si-unit" "kg / m s^2" "si-value" 454313402458.2619 } "c12" { "source-value" 215.8451284305468 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362075201 "si-unit" "kg / m s^2" "si-value" 215845128430.5468 } "c44" { "source-value" 217.01871853904865 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815555408 "si-unit" "kg / m s^2" "si-value" 217018718539.0486 } "excess" { "source-value" 0.027369582526291805 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 27369582.52629181 } } { "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" 5.689550295472145 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.689550295472145e-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" 295.33455310645184 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579002179 "si-unit" "kg / m s^2" "si-value" 295334553106.4518 } } ]