[ { "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" 3.600989282131195 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.600989282131195e-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" 115.44347002022623 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249961985 "si-unit" "kg / m s^2" "si-value" 115443470020.2262 } "c12" { "source-value" 86.61960851817236 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361926357 "si-unit" "kg / m s^2" "si-value" 86619608518.17236 } "c44" { "source-value" 37.775056864020975 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812635701 "si-unit" "kg / m s^2" "si-value" 37775056864.02097 } "excess" { "source-value" 0.02331446176858797 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913308 "si-unit" "kg / m s^2" "si-value" 23314461.76858797 } } { "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" 3.600989282131195 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.600989282131195e-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" 96.22756235219032 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578814929 "si-unit" "kg / m s^2" "si-value" 96227562352.19032 } } ]