{ "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 0.437615 ] [ 0.666667 0.333333 0.937615 ] [ 0.666667 0.333333 0.562385 ] [ 0.333333 0.666667 0.062385 ] [ 0.661196 0.830598 0.75 ] [ 0.338804 0.169402 0.25 ] [ 0.830598 0.169402 0.25 ] [ 0.169402 0.338804 0.75 ] [ 0.169402 0.830598 0.75 ] [ 0.830598 0.661196 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "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" 4.78309100233 "source-unit" "angstrom" } "c" { "source-value" 7.77016866 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 146.6308395031887 "source-unit" "GPa" "source-std-uncert-value" 0.12096141913426095 } }