{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.706324 ] [ 0.333333 0.666667 0.293676 ] [ 0.755913 0.085321 0.646292 ] [ 0.914679 0.670592 0.646292 ] [ 0.329408 0.244087 0.646292 ] [ 0.670592 0.914679 0.353708 ] [ 0.333333 0.666667 0.108697 ] [ 0.666667 0.333333 0.891303 ] [ 0.085321 0.755913 0.353708 ] [ 0.244087 0.329408 0.353708 ] ] } "species" { "source-value" [ "Rb" "Fe" "Se" "Se" "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" 5.25954933961 "source-unit" "angstrom" } "c" { "source-value" 8.89655465 "source-unit" "angstrom" } }