{ "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" [ [ 0.766258 0.684881 0.096918 ] [ 0.766258 0.815119 0.596918 ] [ 0.233742 0.184881 0.403082 ] [ 0.233742 0.315119 0.903082 ] [ 0.759453 0.063782 0.114717 ] [ 0.759453 0.436218 0.614717 ] [ 0.240547 0.563782 0.385283 ] [ 0.240547 0.936218 0.885283 ] [ 0.773024 0.369103 0.1592 ] [ 0.773024 0.130897 0.6592 ] [ 0.226976 0.869103 0.3408 ] [ 0.226976 0.630897 0.8408 ] [ 0.795987 0.491688 0.23227 ] [ 0.7295 0.8886 0.005149 ] [ 0.76374 0.246729 0.231819 ] [ 0.795987 0.008312 0.73227 ] [ 0.7295 0.6114 0.505149 ] [ 0.76374 0.253271 0.731819 ] [ 0.754694 0.369843 0.025583 ] [ 0.754694 0.130157 0.525583 ] [ 0.245306 0.869843 0.474417 ] [ 0.245306 0.630157 0.974417 ] [ 0.23626 0.746729 0.268181 ] [ 0.2705 0.3886 0.494851 ] [ 0.204013 0.991688 0.26773 ] [ 0.23626 0.753271 0.768181 ] [ 0.2705 0.1114 0.994851 ] [ 0.204013 0.508312 0.76773 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "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" 3.30942635 "source-unit" "angstrom" } "b" { "source-value" 9.19137228 "source-unit" "angstrom" } "c" { "source-value" 9.44776148 "source-unit" "angstrom" } "beta" { "source-value" 95.53610029 "source-unit" "degree" } }