{ "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" [ [ 0.980459 0 0.004116 ] [ 0.98853 0 0.510004 ] [ 0.771978 0.5 0.750901 ] [ 0.77546 0.5 0.259562 ] [ 0.481017 0 0.504828 ] [ 0.487888 0 0.009757 ] [ 0.240483 0.5 0.724684 ] [ 0.268318 0.5 0.254284 ] [ 0.900049 0.5 0.595115 ] [ 0.904036 0.5 0.09854 ] [ 0.846723 0 0.848019 ] [ 0.850121 0 0.350234 ] [ 0.405676 0.5 0.600801 ] [ 0.40182 0.5 0.09266 ] [ 0.349459 0 0.34556 ] [ 0.149268 0 0.647965 ] [ 0.652264 0 0.651219 ] [ 0.651184 0 0.15153 ] [ 0.593686 0.5 0.900731 ] [ 0.598635 0.5 0.40218 ] [ 0.34659 0 0.846751 ] [ 0.153907 0 0.150588 ] [ 0.102859 0.5 0.90537 ] [ 0.09959 0.5 0.394599 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.44445789 "source-unit" "angstrom" } "b" { "source-value" 3.10437248 "source-unit" "angstrom" } "c" { "source-value" 9.48155587 "source-unit" "angstrom" } "beta" { "source-value" 90.08517059 "source-unit" "degree" } }