[ { "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" 5.798877999186516 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.798877999186516e-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" 21.76727468968907 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724843609 "si-unit" "kg / m s^2" "si-value" 21767274689.68907 } "c12" { "source-value" 29.714984643701953 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361860815 "si-unit" "kg / m s^2" "si-value" 29714984643.70195 } "c44" { "source-value" -543364.2551690805 "source-unit" "GPa" "source-std-uncert-value" 0.00183398356629016 "si-unit" "kg / m s^2" "si-value" -543364255169080.4 } "excess" { "source-value" 31.057919667627683 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809311807 "si-unit" "kg / m s^2" "si-value" 31057919667.62768 } } { "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" 5.798877999186516 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.798877999186516e-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" 27.065747992364326 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578749886 "si-unit" "kg / m s^2" "si-value" 27065747992.36433 } } ]