{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.994498 0 0.995695 ] [ 0.988391 0 0.671446 ] [ 0.99308 0 0.33003 ] [ 0.772595 0.5 0.834907 ] [ 0.75484 0.5 0.518252 ] [ 0.776825 0.5 0.166865 ] [ 0.500455 0 0.657326 ] [ 0.487751 0 0.003115 ] [ 0.485314 0 0.336706 ] [ 0.216678 0.5 0.828544 ] [ 0.269486 0.5 0.503146 ] [ 0.271551 0.5 0.168892 ] [ 0.900257 0.5 0.728884 ] [ 0.907137 0.5 0.062411 ] [ 0.843474 0 0.898328 ] [ 0.848569 0 0.229956 ] [ 0.851415 0 0.566029 ] [ 0.594256 0.5 0.60404 ] [ 0.40258 0.5 0.059524 ] [ 0.404557 0.5 0.399233 ] [ 0.341499 0 0.568241 ] [ 0.35109 0 0.23039 ] [ 0.146426 0 0.764347 ] [ 0.094108 0.5 0.937414 ] [ 0.899338 0.5 0.403161 ] [ 0.646602 0 0.771348 ] [ 0.658319 0 0.433141 ] [ 0.65214 0 0.098503 ] [ 0.594976 0.5 0.933369 ] [ 0.60077 0.5 0.267007 ] [ 0.401099 0.5 0.736444 ] [ 0.34649 0 0.894202 ] [ 0.153186 0 0.104912 ] [ 0.148584 0 0.432435 ] [ 0.096698 0.5 0.595164 ] [ 0.104967 0.5 0.266591 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.5858834 "source-unit" "angstrom" } "b" { "source-value" 3.12961106 "source-unit" "angstrom" } "c" { "source-value" 14.30957821 "source-unit" "angstrom" } "beta" { "source-value" 90.05515231 "source-unit" "degree" } }