{ "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" [ [ 0.994713 0.170111 0.669991 ] [ 0.005287 0.670111 0.830009 ] [ 0.505287 0.829889 0.169991 ] [ 0.494713 0.329889 0.330009 ] [ 0.034011 0.908819 0.437349 ] [ 0.465989 0.091181 0.937349 ] [ 0.534011 0.591181 0.562651 ] [ 0.965989 0.408819 0.062651 ] [ 0.011767 0.271652 0.889163 ] [ 0.982862 0.420141 0.500117 ] [ 0.017138 0.920141 0.999883 ] [ 0.511767 0.228348 0.110837 ] [ 0.517138 0.579859 0.000117 ] [ 0.992007 0.540167 0.208526 ] [ 0.488233 0.728348 0.389163 ] [ 0.007993 0.040167 0.291474 ] [ 0.988233 0.771652 0.610837 ] [ 0.482862 0.079859 0.499883 ] [ 0.507993 0.459833 0.708526 ] [ 0.492007 0.959833 0.791474 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.59912902 "source-unit" "angstrom" } "b" { "source-value" 10.41364552 "source-unit" "angstrom" } "c" { "source-value" 17.19098014 "source-unit" "angstrom" } }