[ { "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 3.229080244898796 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.229080244898796e-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" 240.98757460327727 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725200698 "si-unit" "kg / m s^2" "si-value" 240987574603.2773 } "c12" { "source-value" 40.75227228621683 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361873527 "si-unit" "kg / m s^2" "si-value" 40752272286.21683 } "c44" { "source-value" 142.6930329478141 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814344712 "si-unit" "kg / m s^2" "si-value" 142693032947.8141 } "excess" { "source-value" 0.03865085969797991 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38650859.69797991 } } { "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 3.229080244898796 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.229080244898796e-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" 107.4973730585703 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578825528 "si-unit" "kg / m s^2" "si-value" 107497373058.5703 } } ]