{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.376244 0.199035 ] [ 0.666667 0.333333 0.708238 ] [ 0 0.623756 0.800965 ] [ 0.376244 0 0.199035 ] [ 0.666667 0.333333 0.291762 ] [ 0.623756 0.623756 0.199035 ] [ 0.623756 0 0.800965 ] [ 0.333333 0.666667 0.708238 ] [ 0.333333 0.666667 0.291762 ] [ 0.376244 0.376244 0.800965 ] [ 0 0 0.775474 ] [ 0.5 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.224526 ] [ 0 0.5 0 ] [ 0.333333 0.666667 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.27901568016 "source-unit" "angstrom" } "c" { "source-value" 11.26716452 "source-unit" "angstrom" } }