{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.074362 0.25 ] [ 0 0.925638 0.75 ] [ 0.5 0.574362 0.25 ] [ 0.5 0.425638 0.75 ] [ 0 0.177242 0.75 ] [ 0 0.822758 0.25 ] [ 0.5 0.677242 0.75 ] [ 0.5 0.322758 0.25 ] [ 0.5 0.076264 0.25 ] [ 0.5 0.923736 0.75 ] [ 0 0.034521 0.75 ] [ 0 0.965479 0.25 ] [ 0 0.576264 0.25 ] [ 0 0.423736 0.75 ] [ 0.5 0.534521 0.75 ] [ 0.5 0.465479 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Br" "Br" "Br" "Br" "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" 4.14869972717 "source-unit" "angstrom" } "b" { "source-value" 21.2501052463 "source-unit" "angstrom" } "c" { "source-value" 4.00998267 "source-unit" "angstrom" } }