[ { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.60098921061e-10 "source-value" 3.60098921061 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 37775063666.4 "source-std-uncert-value" 0.00183398268126 "source-value" 37.7750636664 } "space-group" { "source-value" "Im-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 23314476.2755 "source-std-uncert-value" 0.00259364318091 "source-value" 0.0233144762755 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 86619617295.2 "source-std-uncert-value" 0.00518728636193 "source-value" 86.6196172952 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 115443490506.0 "source-std-uncert-value" 0.007335930725 "source-value" 115.443490506 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Zr" "Zr" ] } "instance-id" 1 } { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.60098921061e-10 "source-value" 3.60098921061 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 96227575032.2 "source-std-uncert-value" 0.00423540157881 "source-value" 96.2275750322 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Zr" "Zr" ] } "instance-id" 2 } ]