{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0.666667 0.333333 0.456281 ] [ 0.666667 0.333333 0.043719 ] [ 0.666667 0.333333 0.651192 ] [ 0.333333 0.666667 0.348808 ] [ 0.333333 0.666667 0.956281 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.543719 ] [ 0.666667 0.333333 0.848808 ] [ 0.333333 0.666667 0.151192 ] [ 0.166786 0.833214 0.651033 ] [ 0.336391 0.168195 0.947486 ] [ 0.168195 0.831805 0.052514 ] [ 0.166786 0.333571 0.848967 ] [ 0.002113 0.501057 0.25 ] [ 0.663609 0.831805 0.447486 ] [ 0.833214 0.666429 0.348967 ] [ 0.831805 0.168195 0.552514 ] [ 0.831805 0.663609 0.947486 ] [ 0.168195 0.831805 0.447486 ] [ 0.833214 0.166786 0.151033 ] [ 0.666429 0.833214 0.848967 ] [ 0.336391 0.168195 0.552514 ] [ 0.333571 0.166786 0.348967 ] [ 0.666429 0.833214 0.651033 ] [ 0.831805 0.168195 0.947486 ] [ 0.498943 0.997887 0.25 ] [ 0.501057 0.498943 0.75 ] [ 0.663609 0.831805 0.052514 ] [ 0.833214 0.166786 0.348967 ] [ 0.168195 0.336391 0.052514 ] [ 0.831805 0.663609 0.552514 ] [ 0.166786 0.333571 0.651033 ] [ 0.833214 0.666429 0.151033 ] [ 0.168195 0.336391 0.447486 ] [ 0.997887 0.498943 0.75 ] [ 0.166786 0.833214 0.848967 ] [ 0.501057 0.002113 0.75 ] [ 0.498943 0.501057 0.25 ] [ 0.333571 0.166786 0.151033 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.5698796282 "source-unit" "angstrom" } "c" { "source-value" 23.41284498 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 200.16424531829873 "source-unit" "GPa" "source-std-uncert-value" 0.7304359248863932 } }