[ { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.4375253468751907 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.437525346875191e-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" 728.6349053810846 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725995028 "si-unit" "kg / m s^2" "si-value" 728634905381.0846 } "c12" { "source-value" 282.4756725464925 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362151947 "si-unit" "kg / m s^2" "si-value" 282475672546.4925 } "c44" { "source-value" 287.6700214595633 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681670625 "si-unit" "kg / m s^2" "si-value" 287670021459.5633 } "excess" { "source-value" 2.588160321319418 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914785 "si-unit" "kg / m s^2" "si-value" 2588160321.319418 } } { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.4375253468751907 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.437525346875191e-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" 431.19541682468986 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015791299495 "si-unit" "kg / m s^2" "si-value" 431195416824.6899 } } ]