{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.37759 0.413266 0.707666 ] [ 0.62241 0.913266 0.792334 ] [ 0.62241 0.586734 0.292334 ] [ 0.37759 0.086734 0.207666 ] [ 0.905141 0.196912 0.456662 ] [ 0.094859 0.803088 0.543338 ] [ 0.905141 0.303088 0.956662 ] [ 0.094859 0.696912 0.043338 ] [ 0.106209 0.432239 0.268112 ] [ 0.893791 0.567761 0.731888 ] [ 0.893791 0.932239 0.231888 ] [ 0.106209 0.067761 0.768112 ] [ 0.625878 0.31959 0.036846 ] [ 0.625878 0.18041 0.536846 ] [ 0.374122 0.68041 0.963154 ] [ 0.374122 0.81959 0.463154 ] [ 0.047389 0.923938 0.728982 ] [ 0.952611 0.423938 0.771018 ] [ 0.952611 0.076062 0.271018 ] [ 0.047389 0.576062 0.228982 ] [ 0.286711 0.073429 0.855143 ] [ 0.713289 0.573429 0.644857 ] [ 0.713289 0.926571 0.144857 ] [ 0.286711 0.426571 0.355143 ] [ 0.960065 0.122681 0.865711 ] [ 0.111833 0.351275 0.115036 ] [ 0.039935 0.877319 0.134289 ] [ 0.960065 0.377319 0.365711 ] [ 0.111833 0.148725 0.615036 ] [ 0.888167 0.648725 0.884964 ] [ 0.888167 0.851275 0.384964 ] [ 0.039935 0.622681 0.634289 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "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" 7.35868179962 "source-unit" "angstrom" } "b" { "source-value" 9.79796661 "source-unit" "angstrom" } "c" { "source-value" 8.36611967348 "source-unit" "angstrom" } "beta" { "source-value" 94.5999443516 "source-unit" "degree" } }