{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.653554 ] [ 0.666667 0.333333 0.846446 ] [ 0.666667 0.333333 0.346446 ] [ 0.333333 0.666667 0.153554 ] [ 0.370054 0.054027 0.08092 ] [ 0.945973 0.316027 0.08092 ] [ 0.683973 0.629946 0.08092 ] [ 0.316027 0.945973 0.41908 ] [ 0.629946 0.683973 0.41908 ] [ 0.054027 0.370054 0.41908 ] [ 0.629946 0.945973 0.91908 ] [ 0.054027 0.683973 0.91908 ] [ 0.316027 0.370054 0.91908 ] [ 0.683973 0.054027 0.58092 ] [ 0.370054 0.316027 0.58092 ] [ 0.945973 0.629946 0.58092 ] [ 0.66327 0.66327 0.75 ] [ 0 0.33673 0.75 ] [ 0.33673 0 0.75 ] [ 0.33673 0.33673 0.25 ] [ 0 0.66327 0.25 ] [ 0.66327 0 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.19066158 "source-unit" "angstrom" } "c" { "source-value" 7.40477177 "source-unit" "angstrom" } }