[ { "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" 6.1983816027641305 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.19838160276413e-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" 19.181049160399947 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724839396 "si-unit" "kg / m s^2" "si-value" 19181049160.39995 } "c12" { "source-value" 27.89993151738579 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361858725 "si-unit" "kg / m s^2" "si-value" 27899931517.38579 } "c44" { "source-value" -247607.90594449648 "source-unit" "GPa" "source-std-uncert-value" 0.001833983084531529 "si-unit" "kg / m s^2" "si-value" -247607905944496.5 } "excess" { "source-value" 1.325127778839822 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809140577 "si-unit" "kg / m s^2" "si-value" 1325127778.839822 } } { "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" 6.1983816027641305 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.19838160276413e-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" 24.993637398390508 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578747939 "si-unit" "kg / m s^2" "si-value" 24993637398.39051 } } ]