{ "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 0.245761 ] [ 0 0 0.5 ] [ 0 0 0.754239 ] [ 0.333333 0.666667 0.368742 ] [ 0.666667 0.333333 0.631258 ] [ 0.666667 0.333333 0.136524 ] [ 0.333333 0.666667 0.863476 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.50319013419 "source-unit" "angstrom" } "c" { "source-value" 11.5877892304 "source-unit" "angstrom" } }