{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.516594 ] [ 0.333333 0.666667 0.983406 ] [ 0.333333 0.666667 0.483406 ] [ 0.666667 0.333333 0.016594 ] [ 0.666667 0.333333 0.307807 ] [ 0.333333 0.666667 0.192193 ] [ 0.333333 0.666667 0.692193 ] [ 0.666667 0.333333 0.807807 ] [ 0 0 0.358009 ] [ 0 0 0.141991 ] [ 0 0 0.641991 ] [ 0 0 0.858009 ] [ 0.347567 0.02899 0.915584 ] [ 0.97101 0.318576 0.915584 ] [ 0.681424 0.652433 0.915584 ] [ 0.318576 0.97101 0.584416 ] [ 0.652433 0.681424 0.584416 ] [ 0.02899 0.347567 0.584416 ] [ 0.652433 0.97101 0.084416 ] [ 0.02899 0.681424 0.084416 ] [ 0.318576 0.347567 0.084416 ] [ 0.681424 0.02899 0.415584 ] [ 0.347567 0.318576 0.415584 ] [ 0.97101 0.652433 0.415584 ] [ 0.290196 0 0.25 ] [ 0 0.290196 0.25 ] [ 0.709804 0.709804 0.25 ] [ 0.709804 0 0.75 ] [ 0 0.709804 0.75 ] [ 0.290196 0.290196 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Nb" "Nb" "Nb" "Nb" "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" 5.22545844947 "source-unit" "angstrom" } "c" { "source-value" 14.19895794 "source-unit" "angstrom" } }