[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.169526793062688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.169526793062688e-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" -3096115.605258461 "source-unit" "GPa" "source-std-uncert-value" 0.007335935768083616 "si-unit" "kg / m s^2" "si-value" -3096115605258461.0 } "c12" { "source-value" 78.11124930721353 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619165585 "si-unit" "kg / m s^2" "si-value" 78111249307.21353 } "c44" { "source-value" -1161047.5915878825 "source-unit" "GPa" "source-std-uncert-value" 0.001833984572436918 "si-unit" "kg / m s^2" "si-value" -1161047591587882.0 } "excess" { "source-value" 0.2622809790835238 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134453 "si-unit" "kg / m s^2" "si-value" 262280979.0835238 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.169526793062688 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.169526793062688e-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" -1031986.4609199489 "source-unit" "GPa" "source-std-uncert-value" 0.004235402549352444 "si-unit" "kg / m s^2" "si-value" -1031986460919949.0 } } ]