{ "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" [ [ 0.333333 0.666667 0.180893 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.819107 ] [ 0 0 0 ] [ 0.333333 0.666667 0.741652 ] [ 0.666667 0.333333 0.258348 ] [ 0.373674 0.186837 0.182603 ] [ 0.626326 0.813163 0.817397 ] [ 0.813163 0.186837 0.182603 ] [ 0.813163 0.626326 0.182603 ] [ 0.333333 0.666667 0.540237 ] [ 0.666667 0.333333 0.459763 ] [ 0.186837 0.813163 0.817397 ] [ 0.186837 0.373674 0.817397 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Na" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.84364785674 "source-unit" "angstrom" } "c" { "source-value" 7.59933603 "source-unit" "angstrom" } }