{ "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" [ [ 0.666667 0.333333 0.303302 ] [ 0.333333 0.666667 0.696698 ] [ 0 0 0 ] [ 0.849889 0.699778 0.784779 ] [ 0.849889 0.150111 0.784779 ] [ 0.300222 0.150111 0.784779 ] [ 0.150111 0.300222 0.215221 ] [ 0.150111 0.849889 0.215221 ] [ 0.699778 0.849889 0.215221 ] ] } "species" { "source-value" [ "Cs" "Cs" "Sn" "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" 6.44625576 "source-unit" "angstrom" } "c" { "source-value" 5.17530298 "source-unit" "angstrom" } }