{ "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" [ [ 0.9978 0.508259 0.994502 ] [ 0.560892 0.815129 0.831768 ] [ 0.497066 0.513685 0.509628 ] [ 0.502934 0.013685 0.490372 ] [ 0.439108 0.315129 0.168232 ] [ 0.0022 0.008259 0.005498 ] [ 0.049603 0.252762 0.708177 ] [ 0.950397 0.752762 0.291823 ] [ 0.03962 0.757979 0.65078 ] [ 0.96038 0.257979 0.34922 ] [ 0.496945 0.262621 0.857972 ] [ 0.503055 0.762621 0.142028 ] [ 0.668626 0.257384 0.959531 ] [ 0.265013 0.250261 0.90191 ] [ 0.945353 0.948623 0.743876 ] [ 0.977933 0.559442 0.743698 ] [ 0.534864 0.273309 0.72129 ] [ 0.316095 0.77688 0.629025 ] [ 0.886406 0.749068 0.50343 ] [ 0.113594 0.249068 0.49657 ] [ 0.683905 0.27688 0.370975 ] [ 0.465136 0.773309 0.27871 ] [ 0.022067 0.059442 0.256302 ] [ 0.054647 0.448623 0.256124 ] [ 0.734987 0.750261 0.09809 ] [ 0.331374 0.757384 0.040469 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "P" "P" "C" "C" "O" "O" "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" 5.43932271 "source-unit" "angstrom" } "b" { "source-value" 6.35911824 "source-unit" "angstrom" } "c" { "source-value" 9.13290222 "source-unit" "angstrom" } "beta" { "source-value" 92.12800008 "source-unit" "degree" } }