{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.152639 0.152639 0.152639 ] [ 0.152639 0.847361 0.152639 ] [ 0.152639 0.152639 0.847361 ] [ 0.847361 0.152639 0.152639 ] [ 0.847361 0.847361 0.152639 ] [ 0.152639 0.847361 0.847361 ] [ 0.847361 0.152639 0.847361 ] [ 0.847361 0.847361 0.847361 ] [ 0 0.343017 0.343017 ] [ 0 0.656983 0.343017 ] [ 0 0.343017 0.656983 ] [ 0.343017 0.343017 0 ] [ 0.656983 0.343017 0 ] [ 0.656983 0 0.343017 ] [ 0.343017 0 0.343017 ] [ 0.656983 0.656983 0 ] [ 0.343017 0 0.656983 ] [ 0.656983 0 0.656983 ] [ 0.343017 0.656983 0 ] [ 0 0.656983 0.656983 ] [ 0.5 0.263321 0.263321 ] [ 0.5 0.736679 0.263321 ] [ 0.5 0.263321 0.736679 ] [ 0.263321 0.263321 0.5 ] [ 0.736679 0.263321 0.5 ] [ 0.736679 0.5 0.263321 ] [ 0.263321 0.5 0.263321 ] [ 0.736679 0.736679 0.5 ] [ 0.263321 0.5 0.736679 ] [ 0.736679 0.5 0.736679 ] [ 0.263321 0.736679 0.5 ] [ 0.5 0.736679 0.736679 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "sc" ] } "a" { "source-value" 9.9999469 "source-unit" "angstrom" } }