[ { "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" 3.535012573003769 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.535012573003769e-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" 101.48231765744583 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724973457 "si-unit" "kg / m s^2" "si-value" 101482317657.4458 } "c12" { "source-value" 75.26381790218059 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361913279 "si-unit" "kg / m s^2" "si-value" 75263817902.18059 } "c44" { "source-value" 71.94967126298407 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813192372 "si-unit" "kg / m s^2" "si-value" 71949671262.98407 } "excess" { "source-value" 0.027580758565909882 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 27580758.56590988 } } { "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" 3.535012573003769 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.535012573003769e-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" 84.00331782060233 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578803434 "si-unit" "kg / m s^2" "si-value" 84003317820.60234 } } ]