{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.687571 0.060101 0.333602 ] [ 0.187571 0.439899 0.666398 ] [ 0.312429 0.560101 0.166398 ] [ 0.812429 0.939899 0.833602 ] [ 0.967354 0.86308 0.564108 ] [ 0.532646 0.13692 0.064108 ] [ 0.032646 0.36308 0.935892 ] [ 0.467354 0.63692 0.435892 ] [ 0.65969 0.883426 0.096347 ] [ 0.84031 0.116574 0.596347 ] [ 0.34031 0.383426 0.403653 ] [ 0.15969 0.616574 0.903653 ] [ 0.635559 0.697116 0.595272 ] [ 0.135559 0.802884 0.404728 ] [ 0.364441 0.197116 0.904728 ] [ 0.864441 0.302884 0.095272 ] [ 0.340022 0.866911 0.661695 ] [ 0.840022 0.633089 0.338305 ] [ 0.659978 0.366911 0.838305 ] [ 0.159978 0.133089 0.161695 ] [ 0.418225 0.087832 0.565175 ] [ 0.918225 0.412168 0.434825 ] [ 0.581775 0.587832 0.934825 ] [ 0.081775 0.912168 0.065175 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.57063837 "source-unit" "angstrom" } "b" { "source-value" 9.02939355 "source-unit" "angstrom" } "c" { "source-value" 13.81854532 "source-unit" "angstrom" } }