[ { "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" 3.5887651145458217 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.588765114545822e-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" 118.9932507787505 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072500198 "si-unit" "kg / m s^2" "si-value" 118993250778.7505 } "c12" { "source-value" 118.74962973837229 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361963366 "si-unit" "kg / m s^2" "si-value" 118749629738.3723 } "c44" { "source-value" 83.49002227557105 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813380355 "si-unit" "kg / m s^2" "si-value" 83490022275.57104 } "excess" { "source-value" 0.052459203055607105 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133243 "si-unit" "kg / m s^2" "si-value" 52459203.0556071 } } { "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" 3.5887651145458217 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.588765114545822e-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" 118.83083675183168 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578836187 "si-unit" "kg / m s^2" "si-value" 118830836751.8317 } } ]