{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.104473 0.363211 0.25 ] [ 0.741262 0.104473 0.75 ] [ 0.363211 0.258738 0.75 ] [ 0.636789 0.741262 0.25 ] [ 0.258738 0.895527 0.25 ] [ 0.895527 0.636789 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.177806 0.127048 0.25 ] [ 0.050758 0.177806 0.75 ] [ 0.127048 0.949242 0.75 ] [ 0.872952 0.050758 0.25 ] [ 0.949242 0.822194 0.25 ] [ 0.822194 0.872952 0.75 ] [ 0.410641 0.434227 0.25 ] [ 0.976414 0.410641 0.75 ] [ 0.434227 0.023586 0.75 ] [ 0.565773 0.976414 0.25 ] [ 0.023586 0.589359 0.25 ] [ 0.589359 0.565773 0.75 ] [ 0.486163 0.206814 0.25 ] [ 0.279349 0.486163 0.75 ] [ 0.206814 0.720651 0.75 ] [ 0.793186 0.279349 0.25 ] [ 0.720651 0.513837 0.25 ] [ 0.513837 0.793186 0.75 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.7847388141 "source-unit" "angstrom" } "c" { "source-value" 4.89965699 "source-unit" "angstrom" } }