{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.859395 0.24224 0.405071 ] [ 0.140605 0.75776 0.594929 ] [ 0.460066 0.550289 0.742839 ] [ 0.539934 0.449711 0.257161 ] [ 0.770934 0.002499 0.93136 ] [ 0.229066 0.997501 0.06864 ] [ 0.619988 0.290992 0.937619 ] [ 0.231373 0.174153 0.728868 ] [ 0.768627 0.825847 0.271132 ] [ 0.380012 0.709008 0.062381 ] [ 0.250192 0.820228 0.149182 ] [ 0.607336 0.787235 0.488026 ] [ 0.366025 0.152246 0.086267 ] [ 0.696157 0.370446 0.053854 ] [ 0.749808 0.179772 0.850818 ] [ 0.331093 0.547148 0.250392 ] [ 0.227375 0.352481 0.759241 ] [ 0.772625 0.647519 0.240759 ] [ 0.392664 0.212766 0.511974 ] [ 0.002173 0.965701 0.205527 ] [ 0.633975 0.847754 0.913733 ] [ 0.668907 0.452852 0.749608 ] [ 0.296574 0.052795 0.858096 ] [ 0.303843 0.629554 0.946146 ] [ 0.997827 0.034299 0.794473 ] [ 0.703426 0.947205 0.141904 ] ] } "species" { "source-value" [ "Cs" "Cs" "Zn" "Zn" "B" "B" "P" "P" "P" "P" "O" "O" "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" 7.60463538665 "source-unit" "angstrom" } "b" { "source-value" 8.01876341636 "source-unit" "angstrom" } "c" { "source-value" 8.13602293812 "source-unit" "angstrom" } "alpha" { "source-value" 117.783994499 "source-unit" "degree" } "beta" { "source-value" 102.888041597 "source-unit" "degree" } "gamma" { "source-value" 104.688574076 "source-unit" "degree" } }