{ "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" [ [ 0.989782 0 0.993517 ] [ 0.009889 0 0.659862 ] [ 0.977144 0 0.338858 ] [ 0.784382 0.5 0.82416 ] [ 0.770823 0.5 0.508642 ] [ 0.73654 0.5 0.193462 ] [ 0.479561 0 0.664792 ] [ 0.504326 0 0.993078 ] [ 0.483179 0 0.339487 ] [ 0.248832 0.5 0.811605 ] [ 0.255724 0.5 0.507353 ] [ 0.259694 0.5 0.174889 ] [ 0.913233 0.5 0.725812 ] [ 0.898354 0.5 0.398739 ] [ 0.860787 0 0.897315 ] [ 0.84537 0 0.23062 ] [ 0.852404 0 0.567144 ] [ 0.583015 0.5 0.278861 ] [ 0.410841 0.5 0.733656 ] [ 0.395006 0.5 0.40189 ] [ 0.34903 0 0.563654 ] [ 0.339546 0 0.231458 ] [ 0.151664 0 0.76633 ] [ 0.104383 0.5 0.594956 ] [ 0.900409 0.5 0.062782 ] [ 0.665014 0 0.766297 ] [ 0.649144 0 0.443454 ] [ 0.649224 0 0.104165 ] [ 0.608068 0.5 0.926803 ] [ 0.599663 0.5 0.602763 ] [ 0.394323 0.5 0.061972 ] [ 0.341661 0 0.898761 ] [ 0.144355 0 0.099566 ] [ 0.149697 0 0.428006 ] [ 0.102762 0.5 0.940097 ] [ 0.092168 0.5 0.265195 ] ] } "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" 9.49101106 "source-unit" "angstrom" } "b" { "source-value" 3.0783058 "source-unit" "angstrom" } "c" { "source-value" 14.17751847 "source-unit" "angstrom" } "beta" { "source-value" 90.08701104 "source-unit" "degree" } }