[ { "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" 5.972456067800522 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.972456067800522e-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" -2652204.0362926875 "source-unit" "GPa" "source-std-uncert-value" 0.007335935045029424 "si-unit" "kg / m s^2" "si-value" -2652204036292688.0 } "c12" { "source-value" 69.71560377168488 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361906888 "si-unit" "kg / m s^2" "si-value" 69715603771.68488 } "c44" { "source-value" -994603.5187741877 "source-unit" "GPa" "source-std-uncert-value" 0.0018339843013155288 "si-unit" "kg / m s^2" "si-value" -994603518774187.6 } "excess" { "source-value" 165555.02592425808 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432762571943 "si-unit" "kg / m s^2" "si-value" 165555025924258.1 } } { "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" 5.972456067800522 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.972456067800522e-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" -884021.5350283814 "source-unit" "GPa" "source-std-uncert-value" 0.004235402410195277 "si-unit" "kg / m s^2" "si-value" -884021535028381.4 } } ]