[ { "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" 3.56232860684395 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56232860684395e-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" 95.61645946123296 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724963903 "si-unit" "kg / m s^2" "si-value" 95616459461.23297 } "c12" { "source-value" 108.7726556452635 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361951873 "si-unit" "kg / m s^2" "si-value" 108772655645.2635 } "c44" { "source-value" 41.8449633317145 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812701994 "si-unit" "kg / m s^2" "si-value" 41844963331.7145 } "excess" { "source-value" 0.050196814704872535 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913323 "si-unit" "kg / m s^2" "si-value" 50196814.70487253 } } { "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" 3.56232860684395 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.56232860684395e-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" 104.38725691725331 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578822603 "si-unit" "kg / m s^2" "si-value" 104387256917.2533 } } ]