{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0.737422 0.237767 ] [ 0.767824 0 0.261702 ] [ 0.5 0.762578 0.737767 ] [ 0.266678 0.768379 0 ] [ 0.767824 0 0.738298 ] [ 0.266678 0.231621 0 ] [ 0.733322 0.768379 0 ] [ 0.232176 0 0.261702 ] [ 0.733322 0.231621 0 ] [ 0.5 0.237422 0.262233 ] [ 0.232176 0 0.738298 ] [ 0 0.262578 0.762233 ] [ 0.5 0.237422 0.737767 ] [ 0.267824 0.5 0.761702 ] [ 0 0.262578 0.237767 ] [ 0.766678 0.268379 0.5 ] [ 0.267824 0.5 0.238298 ] [ 0.766678 0.731621 0.5 ] [ 0.233322 0.268379 0.5 ] [ 0.732176 0.5 0.761702 ] [ 0.233322 0.731621 0.5 ] [ 0 0.737422 0.762233 ] [ 0.732176 0.5 0.238298 ] [ 0.5 0.762578 0.262233 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.83649134295 "source-unit" "angstrom" } "b" { "source-value" 7.85061879274 "source-unit" "angstrom" } "c" { "source-value" 7.88007197746 "source-unit" "angstrom" } }