{ "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 ] [ 0 0 0.5 ] [ 0.170466 0.829534 0.25 ] [ 0.340931 0.170466 0.75 ] [ 0.829534 0.659069 0.75 ] [ 0.170466 0.340931 0.25 ] [ 0.659069 0.829534 0.25 ] [ 0.829534 0.170466 0.75 ] [ 0.333333 0.666667 0.931253 ] [ 0.666667 0.333333 0.431253 ] [ 0.666667 0.333333 0.068747 ] [ 0.333333 0.666667 0.568747 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "W" "W" "W" "W" ] } "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" 4.67955211816 "source-unit" "angstrom" } "c" { "source-value" 7.79476658 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 259.4114883350094 "source-unit" "GPa" "source-std-uncert-value" 1.8503214743499257 } }