{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.292365 0.383281 0.25 ] [ 0.616719 0.909085 0.25 ] [ 0.090915 0.707635 0.25 ] [ 0.909085 0.292365 0.75 ] [ 0.383281 0.090915 0.75 ] [ 0.707635 0.616719 0.75 ] [ 0.187632 0.20758 0.25 ] [ 0.529738 0.564576 0.75 ] [ 0.258433 0.456101 0.043091 ] [ 0.258433 0.456101 0.456909 ] [ 0.034837 0.470262 0.75 ] [ 0.543899 0.802332 0.456909 ] [ 0.543899 0.802332 0.043091 ] [ 0.79242 0.980052 0.25 ] [ 0.197668 0.741567 0.043091 ] [ 0.197668 0.741567 0.456909 ] [ 0.980052 0.187632 0.75 ] [ 0.564576 0.034837 0.25 ] [ 0.435424 0.965163 0.75 ] [ 0.019948 0.812368 0.25 ] [ 0.802332 0.258433 0.543091 ] [ 0.802332 0.258433 0.956909 ] [ 0.20758 0.019948 0.75 ] [ 0.456101 0.197668 0.956909 ] [ 0.456101 0.197668 0.543091 ] [ 0.965163 0.529738 0.25 ] [ 0.741567 0.543899 0.956909 ] [ 0.741567 0.543899 0.543091 ] [ 0.470262 0.435424 0.25 ] [ 0.812368 0.79242 0.75 ] ] } "species" { "source-value" [ "Ho" "Ho" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.26827418 "source-unit" "angstrom" } "c" { "source-value" 5.71198653 "source-unit" "angstrom" } }