[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.222052030265331 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.222052030265331e-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" -1020707.5894379378 "source-unit" "GPa" "source-std-uncert-value" 0.007335932387530948 "si-unit" "kg / m s^2" "si-value" -1020707589437938.0 } "c12" { "source-value" 59.94523981705549 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361895634 "si-unit" "kg / m s^2" "si-value" 59945239817.05549 } "c44" { "source-value" -765568.4287849156 "source-unit" "GPa" "source-std-uncert-value" 0.0018339839282393911 "si-unit" "kg / m s^2" "si-value" -765568428784915.6 } "excess" { "source-value" 127330.10615625225 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432542432836 "si-unit" "kg / m s^2" "si-value" 127330106156252.2 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.222052030265331 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.222052030265331e-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" -340195.89965276787 "source-unit" "GPa" "source-std-uncert-value" 0.004235401898753191 "si-unit" "kg / m s^2" "si-value" -340195899652767.9 } } ]