{ "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 0.5 0 ] [ 0.5 0.788658 0 ] [ 0.5 0.211342 0 ] [ 0 0.221806 0.166029 ] [ 0 0.778194 0.833971 ] [ 0 0.221806 0.833971 ] [ 0 0.778194 0.166029 ] [ 0.5 0 0.5 ] [ 0 0.288658 0.5 ] [ 0 0.711342 0.5 ] [ 0.5 0.721806 0.666029 ] [ 0.5 0.278194 0.333971 ] [ 0.5 0.721806 0.333971 ] [ 0.5 0.278194 0.666029 ] [ 0 0 0 ] [ 0.5 0.5 0.848412 ] [ 0.5 0.5 0.151588 ] [ 0.5 0 0.192882 ] [ 0.5 0 0.807118 ] [ 0.5 0.5 0.5 ] [ 0 0 0.348412 ] [ 0 0 0.651588 ] [ 0 0.5 0.692882 ] [ 0 0.5 0.307118 ] [ 0 0.215308 0 ] [ 0 0.784692 0 ] [ 0.5 0.715308 0.5 ] [ 0.5 0.284692 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 5.80593516058 "source-unit" "angstrom" } "b" { "source-value" 9.48228597187 "source-unit" "angstrom" } "c" { "source-value" 17.0021253435 "source-unit" "angstrom" } }