{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.562058 ] [ 0.333333 0.666667 0.062058 ] [ 0.333333 0.666667 0.436969 ] [ 0.666667 0.333333 0.936969 ] [ 0.51067 0.02134 0.995413 ] [ 0.48933 0.51067 0.495413 ] [ 0.48933 0.97866 0.495413 ] [ 0.666667 0.333333 0.761532 ] [ 0.333333 0.666667 0.261532 ] [ 0.97866 0.48933 0.995413 ] [ 0.51067 0.48933 0.995413 ] [ 0.02134 0.51067 0.495413 ] ] } "species" { "source-value" [ "Al" "Al" "P" "P" "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" 5.33597363731 "source-unit" "angstrom" } "c" { "source-value" 8.71484255 "source-unit" "angstrom" } }