{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.178045 0.25 0.412376 ] [ 0.821955 0.75 0.587624 ] [ 0.824916 0.25 0.800264 ] [ 0.175084 0.75 0.199736 ] [ 0.110713 0.934593 0.653109 ] [ 0.889287 0.434593 0.346891 ] [ 0.889287 0.065407 0.346891 ] [ 0.110713 0.565407 0.653109 ] [ 0.341769 0.927639 0.762725 ] [ 0.658231 0.427639 0.237275 ] [ 0.658231 0.072361 0.237275 ] [ 0.341769 0.572361 0.762725 ] [ 0.130993 0.929089 0.901159 ] [ 0.869007 0.429089 0.098841 ] [ 0.869007 0.070911 0.098841 ] [ 0.130993 0.570911 0.901159 ] [ 0.206024 0.25 0.77267 ] [ 0.793976 0.75 0.22733 ] [ 0.195895 0.979296 0.772776 ] [ 0.804105 0.479296 0.227224 ] [ 0.804105 0.020704 0.227224 ] [ 0.195895 0.520704 0.772776 ] [ 0.354771 0.25 0.090667 ] [ 0.645229 0.75 0.909333 ] [ 0.526804 0.25 0.609156 ] [ 0.473196 0.75 0.390844 ] [ 0.063028 0.25 0.506195 ] [ 0.936972 0.75 0.493805 ] [ 0.928242 0.25 0.907637 ] [ 0.071758 0.75 0.092363 ] ] } "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" 6.47891954 "source-unit" "angstrom" } "b" { "source-value" 7.62595531 "source-unit" "angstrom" } "c" { "source-value" 6.77447928 "source-unit" "angstrom" } "beta" { "source-value" 90.15870124 "source-unit" "degree" } }