{ "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" [ [ 0.336918 0.736228 0.562323 ] [ 0.663082 0.236228 0.937677 ] [ 0.663082 0.263772 0.437677 ] [ 0.336918 0.763772 0.062323 ] [ 0.131968 0.839549 0.62993 ] [ 0.868032 0.339549 0.87007 ] [ 0.868032 0.160451 0.37007 ] [ 0.131968 0.660451 0.12993 ] [ 0.117966 0.838808 0.420268 ] [ 0.882034 0.338808 0.079732 ] [ 0.882034 0.161192 0.579732 ] [ 0.117966 0.661192 0.920268 ] [ 0.818785 0.611071 0.719127 ] [ 0.181215 0.111071 0.780873 ] [ 0.818785 0.888929 0.219127 ] [ 0.181215 0.388929 0.280873 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.168309 0.759571 0.532823 ] [ 0.831691 0.259571 0.967177 ] [ 0.831691 0.240429 0.467177 ] [ 0.168309 0.740429 0.032823 ] [ 0.664116 0.661005 0.381442 ] [ 0.335884 0.161005 0.118558 ] [ 0.335884 0.338995 0.618558 ] [ 0.664116 0.838995 0.881442 ] [ 0.947644 0.525039 0.735209 ] [ 0.052356 0.025039 0.764791 ] [ 0.052356 0.474961 0.264791 ] [ 0.947644 0.974961 0.235209 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "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" 6.23891509097 "source-unit" "angstrom" } "b" { "source-value" 6.97108474 "source-unit" "angstrom" } "c" { "source-value" 8.17828515507 "source-unit" "angstrom" } "beta" { "source-value" 105.949159452 "source-unit" "degree" } }