{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.744375 0.718981 0.315409 ] [ 0.255625 0.218981 0.684591 ] [ 0.752558 0.995156 0.762725 ] [ 0.247442 0.495156 0.237275 ] [ 0.021229 0.497626 0.476685 ] [ 0.75189 0.764203 0.752683 ] [ 0.98214 0.995178 0.986924 ] [ 0.51934 0.995346 0.983936 ] [ 0.01786 0.495178 0.013076 ] [ 0.252472 0.725538 0.251026 ] [ 0.24811 0.264203 0.247317 ] [ 0.475826 0.492425 0.477674 ] [ 0.978771 0.997626 0.523315 ] [ 0.524174 0.992425 0.522326 ] [ 0.747528 0.225538 0.748974 ] [ 0.48066 0.495346 0.016064 ] ] } "species" { "source-value" [ "K" "K" "Nb" "Nb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.33925954 "source-unit" "angstrom" } "b" { "source-value" 10.34924626 "source-unit" "angstrom" } "c" { "source-value" 7.36500895 "source-unit" "angstrom" } "beta" { "source-value" 90.03287021 "source-unit" "degree" } }