{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.228502 0 0.77715 ] [ 0.771498 0 0.22285 ] [ 0.728502 0.5 0.77715 ] [ 0.271498 0.5 0.22285 ] [ 0 0.369577 0.5 ] [ 0 0.630423 0.5 ] [ 0.5 0.869577 0.5 ] [ 0.5 0.130423 0.5 ] [ 0.272923 0 0.116245 ] [ 0.727077 0 0.883755 ] [ 0.772923 0.5 0.116245 ] [ 0.227077 0.5 0.883755 ] [ 0.942636 0.72851 0.609472 ] [ 0.057364 0.72851 0.390528 ] [ 0.942636 0.27149 0.609472 ] [ 0.057364 0.27149 0.390528 ] [ 0.442636 0.22851 0.609472 ] [ 0.557364 0.22851 0.390528 ] [ 0.442636 0.77149 0.609472 ] [ 0.557364 0.77149 0.390528 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "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" 6.03397638646 "source-unit" "angstrom" } "b" { "source-value" 5.96974701885 "source-unit" "angstrom" } "c" { "source-value" 9.51729224191 "source-unit" "angstrom" } "beta" { "source-value" 94.9425809422 "source-unit" "degree" } }