[ { "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" 6.090278410911566 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.090278410911566e-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" -1834090.086229923 "source-unit" "GPa" "source-std-uncert-value" 0.0073359337123798125 "si-unit" "kg / m s^2" "si-value" -1834090086229923.0 } "c12" { "source-value" 41.66951514862157 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361874584 "si-unit" "kg / m s^2" "si-value" 41669515148.62157 } "c44" { "source-value" -687797.5244906562 "source-unit" "GPa" "source-std-uncert-value" 0.0018339838015580666 "si-unit" "kg / m s^2" "si-value" -687797524490656.2 } "excess" { "source-value" 12.84927650783794 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809206943 "si-unit" "kg / m s^2" "si-value" 12849276507.83794 } } { "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" 6.090278410911566 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.090278410911566e-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" -611335.5823998752 "source-unit" "GPa" "source-std-uncert-value" 0.004235402153709071 "si-unit" "kg / m s^2" "si-value" -611335582399875.1 } } ]