{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_522" } "basis-atom-coordinates" { "source-value" [ [ 0.534369 0.767185 0.416667 ] [ 0.465631 0.232815 0.916667 ] [ 0.232815 0.465631 0.75 ] [ 0.767185 0.232815 0.583333 ] [ 0.767185 0.534369 0.25 ] [ 0.232815 0.767185 0.083333 ] [ 0.611807 0.388193 0.083333 ] [ 0 0.684501 0.166667 ] [ 0.776385 0.388193 0.416667 ] [ 0.684501 0.684501 0.333333 ] [ 0.315499 0.315499 0.833333 ] [ 0.611807 0.223615 0.75 ] [ 0.223615 0.611807 0.916667 ] [ 0.315499 0 0 ] [ 0 0.315499 0.666667 ] [ 0.388193 0.776385 0.25 ] [ 0.388193 0.611807 0.583333 ] [ 0.684501 0 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.36282575994 "source-unit" "angstrom" } "c" { "source-value" 7.05100916 "source-unit" "angstrom" } }