[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" 3.580094069242477 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.580094069242477e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 118.15470092105089 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725000614 "si-unit" "kg / m s^2" "si-value" 118154700921.0509 } "c12" { "source-value" 92.58438399882277 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361933228 "si-unit" "kg / m s^2" "si-value" 92584383998.82277 } "c44" { "source-value" 68.86466191396656 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681314212 "si-unit" "kg / m s^2" "si-value" 68864661913.96655 } "excess" { "source-value" 0.03814183339538968 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38141833.39538968 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" 3.580094069242477 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.580094069242477e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 101.10782297289882 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157881952 "si-unit" "kg / m s^2" "si-value" 101107822972.8988 } } ]