{ "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" [ [ 0.333333 0.666667 0.055192 ] [ 0.666667 0.333333 0.555192 ] [ 0.333333 0.666667 0.444808 ] [ 0.666667 0.333333 0.944808 ] [ 0.834875 0.66975 0.25 ] [ 0.165125 0.834875 0.75 ] [ 0.66975 0.834875 0.75 ] [ 0.33025 0.165125 0.25 ] [ 0.834875 0.165125 0.25 ] [ 0.165125 0.33025 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Al" "Al" "Al" "Al" "Al" "Al" "Ru" "Ru" ] } "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" 5.30473366939 "source-unit" "angstrom" } "c" { "source-value" 8.55627983 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 111.94862025000499 "source-unit" "GPa" "source-std-uncert-value" 0.34352218966070325 } }