{ "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" [ [ 0.835095 0.67019 0.232299 ] [ 0.32981 0.164905 0.232299 ] [ 0.835095 0.164905 0.232299 ] [ 0.666667 0.333333 0.751251 ] [ 0.67019 0.835095 0.732299 ] [ 0.164905 0.32981 0.732299 ] [ 0.333333 0.666667 0.251251 ] [ 0.164905 0.835095 0.732299 ] [ 0.762876 0.237124 0.538893 ] [ 0.474249 0.237124 0.538893 ] [ 0.762876 0.525751 0.538893 ] [ 0.525751 0.762876 0.038893 ] [ 0.237124 0.474249 0.038893 ] [ 0.237124 0.762876 0.038893 ] [ 0.666667 0.333333 0.031318 ] [ 0 0 0.939095 ] [ 0.333333 0.666667 0.531318 ] [ 0 0 0.439095 ] [ 0.666667 0.333333 0.571909 ] [ 0 0 0.820362 ] [ 0 0 0.549339 ] [ 0 0 0.049339 ] [ 0.666667 0.333333 0.921829 ] [ 0 0 0.320362 ] [ 0.666667 0.333333 0.150524 ] [ 0.333333 0.666667 0.421829 ] [ 0.333333 0.666667 0.071909 ] [ 0.333333 0.666667 0.650524 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.78607160607 "source-unit" "angstrom" } "c" { "source-value" 10.8626357 "source-unit" "angstrom" } }