{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.429453 0.060941 0 ] [ 0.631488 0.570547 0 ] [ 0.939059 0.368512 0 ] [ 0.151095 0.272575 0 ] [ 0.12148 0.848905 0 ] [ 0.727425 0.87852 0 ] [ 0.38167 0.434573 0.5 ] [ 0.052902 0.61833 0.5 ] [ 0.565427 0.947098 0.5 ] [ 0.217379 0.099647 0.5 ] [ 0.882268 0.782621 0.5 ] [ 0.900353 0.117732 0.5 ] [ 0.4058 0.299769 0 ] [ 0.893969 0.5942 0 ] [ 0.700231 0.106031 0 ] [ 0.105764 0.396757 0.5 ] [ 0.290994 0.894236 0.5 ] [ 0.603243 0.709006 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.00486816448 "source-unit" "angstrom" } "c" { "source-value" 3.65676217 "source-unit" "angstrom" } }