{ "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 0.43231 ] [ 0.666667 0.333333 0.56769 ] [ 0.666667 0.333333 0.93231 ] [ 0.333333 0.666667 0.06769 ] [ 0.171787 0.343574 0.75 ] [ 0.171787 0.828213 0.75 ] [ 0.343574 0.171787 0.25 ] [ 0.828213 0.656426 0.25 ] [ 0.656426 0.828213 0.75 ] [ 0 0 0 ] [ 0.828213 0.171787 0.25 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 5.14537416688 "source-unit" "angstrom" } "c" { "source-value" 8.64826773 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 189.90954591338834 "source-unit" "GPa" "source-std-uncert-value" 0.39054023854416187 } }