{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.466656 0.25 0.841657 ] [ 0.961299 0.75 0.758045 ] [ 0.038701 0.25 0.241955 ] [ 0.533344 0.75 0.158343 ] [ 0.263788 0.030018 0.309227 ] [ 0.736212 0.969982 0.690773 ] [ 0.634474 0.75 0.383133 ] [ 0.365526 0.25 0.616867 ] [ 0.19064 0.75 0.599771 ] [ 0.747101 0.534027 0.099225 ] [ 0.736212 0.530018 0.690773 ] [ 0.747101 0.965973 0.099225 ] [ 0.252899 0.465973 0.900775 ] [ 0.252899 0.034027 0.900775 ] [ 0.263788 0.469982 0.309227 ] [ 0.80936 0.25 0.400229 ] ] } "species" { "source-value" [ "Cu" "Cu" "I" "I" "I" "I" "O" "O" "O" "O" "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" 5.10454356576 "source-unit" "angstrom" } "b" { "source-value" 6.34412847 "source-unit" "angstrom" } "c" { "source-value" 8.36550481825 "source-unit" "angstrom" } "beta" { "source-value" 92.2934398895 "source-unit" "degree" } }