[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" 3.3006330132484436 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.300633013248444e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 3339.060336676668 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307302471605 "si-unit" "kg / m s^2" "si-value" 3339060336676.668 } "c12" { "source-value" 1905.0808915233529 "source-unit" "GPa" "source-std-uncert-value" 0.005187286364020879 "si-unit" "kg / m s^2" "si-value" 1905080891523.353 } "c44" { "source-value" 1909.0405109195708 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826843116816 "si-unit" "kg / m s^2" "si-value" 1909040510919.571 } "excess" { "source-value" 1.8945626637886341 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914385 "si-unit" "kg / m s^2" "si-value" 1894562663.788634 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" 3.3006330132484436 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.300633013248444e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 2383.0740399077913 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015809655905 "si-unit" "kg / m s^2" "si-value" 2383074039907.792 } } ]