[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 4.53281044960022 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.53281044960022e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 129.25974550155203 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725018704 "si-unit" "kg / m s^2" "si-value" 129259745501.552 } "c12" { "source-value" 78.79776005975553 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361917349 "si-unit" "kg / m s^2" "si-value" 78797760059.75554 } "c44" { "source-value" 55.269356157528996 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812920662 "si-unit" "kg / m s^2" "si-value" 55269356157.529 } "excess" { "source-value" 2.6645352591009626e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.664535259100963 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 4.53281044960022 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.53281044960022e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 95.6184218736877 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578814357 "si-unit" "kg / m s^2" "si-value" 95618421873.6877 } } ]