{ "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 0.221286 ] [ 0 0 0.778714 ] [ 0.5 0.5 0.721286 ] [ 0.5 0.5 0.278714 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.215201 0 ] [ 0 0.5 0.844944 ] [ 0.5 0.804378 0.88735 ] [ 0.5 0.804378 0.11265 ] [ 0 0.784799 0 ] [ 0.5 0.195622 0.88735 ] [ 0 0.5 0.155056 ] [ 0.5 0.195622 0.11265 ] [ 0.5 0.715201 0.5 ] [ 0.5 0 0.344944 ] [ 0 0.304378 0.38735 ] [ 0 0.304378 0.61265 ] [ 0.5 0.284799 0.5 ] [ 0 0.695622 0.38735 ] [ 0.5 0 0.655056 ] [ 0 0.695622 0.61265 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.67883991436 "source-unit" "angstrom" } "b" { "source-value" 6.90442072191 "source-unit" "angstrom" } "c" { "source-value" 12.6926167438 "source-unit" "angstrom" } }