{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.79048 ] [ 0.333333 0.666667 0.20952 ] [ 0.333333 0.666667 0.764741 ] [ 0.666667 0.333333 0.235259 ] [ 0.666667 0.333333 0.433442 ] [ 0.333333 0.666667 0.566558 ] [ 0.811981 0.188019 0.168324 ] [ 0.811981 0.623962 0.168324 ] [ 0.376038 0.188019 0.168324 ] [ 0.623962 0.811981 0.831676 ] [ 0.188019 0.811981 0.831676 ] [ 0.188019 0.376038 0.831676 ] ] } "species" { "source-value" [ "Yb" "Cs" "K" "K" "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" 5.82578795049 "source-unit" "angstrom" } "c" { "source-value" 7.81361326 "source-unit" "angstrom" } }