{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.708277 ] [ 0.333333 0.666667 0.291723 ] [ 0.666667 0.333333 0.458586 ] [ 0.333333 0.666667 0.541414 ] [ 0.359881 0.163146 0.786775 ] [ 0.803265 0.640119 0.786775 ] [ 0.836854 0.196735 0.786775 ] [ 0.640119 0.836854 0.213225 ] [ 0.196735 0.359881 0.213225 ] [ 0.163146 0.803265 0.213225 ] ] } "species" { "source-value" [ "Zr" "P" "P" "H" "H" "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" 5.5170951389 "source-unit" "angstrom" } "c" { "source-value" 5.62376643138 "source-unit" "angstrom" } }