[ { "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" 3.966203063726425 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.966203063726425e-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" 378.5258252028598 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725424734 "si-unit" "kg / m s^2" "si-value" 378525825202.8598 } "c12" { "source-value" 248.69388186019876 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362113037 "si-unit" "kg / m s^2" "si-value" 248693881860.1988 } "c44" { "source-value" 249.81321662344703 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826816089597 "si-unit" "kg / m s^2" "si-value" 249813216623.447 } "excess" { "source-value" 0.555555918898306 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913614 "si-unit" "kg / m s^2" "si-value" 555555918.898306 } } { "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" 3.966203063726425 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.966203063726425e-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" 291.9711963077524 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578999017 "si-unit" "kg / m s^2" "si-value" 291971196307.7524 } } ]