{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.066208 0.734952 0.218608 ] [ 0.265048 0.331256 0.218608 ] [ 0.668744 0.933792 0.218608 ] [ 0.265048 0.933792 0.218608 ] [ 0.066208 0.331256 0.218608 ] [ 0.668744 0.734952 0.218608 ] [ 0.933792 0.265048 0.781392 ] [ 0.734952 0.668744 0.781392 ] [ 0.331256 0.066208 0.781392 ] [ 0.734952 0.066208 0.781392 ] [ 0.933792 0.668744 0.781392 ] [ 0.331256 0.265048 0.781392 ] [ 0.333333 0.666667 0.676686 ] [ 0.666667 0.333333 0.323314 ] [ 0.333333 0.666667 0.396871 ] [ 0.666667 0.333333 0.603129 ] [ 0.44597 0.891941 0.775522 ] [ 0.108059 0.55403 0.775522 ] [ 0.44597 0.55403 0.775522 ] [ 0.55403 0.108059 0.224478 ] [ 0.891941 0.44597 0.224478 ] [ 0.55403 0.44597 0.224478 ] [ 0.123931 0.876069 0.208277 ] [ 0.123931 0.247861 0.208277 ] [ 0.752139 0.876069 0.208277 ] [ 0.876069 0.123931 0.791723 ] [ 0.876069 0.752139 0.791723 ] [ 0.247861 0.123931 0.791723 ] ] } "species" { "source-value" [ "Co" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "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" 7.95926009738 "source-unit" "angstrom" } "c" { "source-value" 5.87332025118 "source-unit" "angstrom" } }