[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Zr" ] } "a" { "source-value" 2.8910403549671173 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.891040354967117e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 441.09810317759235 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725526658 "si-unit" "kg / m s^2" "si-value" 441098103177.5923 } "c12" { "source-value" 239.7882880688994 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362102779 "si-unit" "kg / m s^2" "si-value" 239788288068.8994 } "c44" { "source-value" -10.730125214133556 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812195166 "si-unit" "kg / m s^2" "si-value" -10730125214.13356 } "excess" { "source-value" 2.960594732334403e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.2960594732334403 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Zr" ] } "a" { "source-value" 2.8910403549671173 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.891040354967117e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 306.891559771797 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579013049 "si-unit" "kg / m s^2" "si-value" 306891559771.797 } } ]