{ "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" [ [ 0.490453 0.949136 0.170266 ] [ 0.490453 0.550864 0.670266 ] [ 0.509547 0.449136 0.329734 ] [ 0.509547 0.050864 0.829734 ] [ 0.745264 0.936655 0.494197 ] [ 0.007424 0.496819 0.325382 ] [ 0.992576 0.996819 0.174618 ] [ 0.007424 0.003181 0.825382 ] [ 0.745264 0.563345 0.994197 ] [ 0.992576 0.503181 0.674618 ] [ 0.254736 0.436655 0.005803 ] [ 0.254736 0.063345 0.505803 ] [ 0.765894 0.812748 0.719162 ] [ 0.461058 0.678031 0.918758 ] [ 0.959565 0.33478 0.09929 ] [ 0.228948 0.6535 0.188529 ] [ 0.220237 0.042071 0.001451 ] [ 0.779763 0.957929 0.998549 ] [ 0.765894 0.687252 0.219162 ] [ 0.771052 0.1535 0.311471 ] [ 0.220237 0.457929 0.501451 ] [ 0.040435 0.66522 0.90071 ] [ 0.040435 0.83478 0.40071 ] [ 0.461058 0.821969 0.418758 ] [ 0.538942 0.321969 0.081242 ] [ 0.228948 0.8465 0.688529 ] [ 0.234106 0.187252 0.280838 ] [ 0.779763 0.542071 0.498549 ] [ 0.771052 0.3465 0.811471 ] [ 0.234106 0.312748 0.780838 ] [ 0.959565 0.16522 0.59929 ] [ 0.538942 0.178031 0.581242 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.98449690397 "source-unit" "angstrom" } "b" { "source-value" 8.09070498 "source-unit" "angstrom" } "c" { "source-value" 12.7191894121 "source-unit" "angstrom" } "beta" { "source-value" 90.0465572152 "source-unit" "degree" } }