[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.536976568400861 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.53697656840086e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 377.6930919702677 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725423378 "si-unit" "kg / m s^2" "si-value" 377693091970.2677 } "c12" { "source-value" 224.49635937580078 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362085165 "si-unit" "kg / m s^2" "si-value" 224496359375.8008 } "c44" { "source-value" 141.77429879624316 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814329748 "si-unit" "kg / m s^2" "si-value" 141774298796.2432 } "excess" { "source-value" 0.07345185267424585 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913337 "si-unit" "kg / m s^2" "si-value" 73451852.67424585 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.536976568400861 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.53697656840086e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 275.56193690728975 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578983584 "si-unit" "kg / m s^2" "si-value" 275561936907.2897 } } ]