{ "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" [ [ 0.994433 0.802866 0.014259 ] [ 0.976743 0 0.025778 ] [ 0.994433 0.197134 0.014259 ] [ 0.971462 0.408983 0.988144 ] [ 0.971462 0.591017 0.988144 ] [ 0.523947 0.88804 0.477431 ] [ 0.502436 0.29766 0.519478 ] [ 0.523947 0.11196 0.477431 ] [ 0.543296 0.5 0.497672 ] [ 0.502436 0.70234 0.519478 ] [ 0.811752 0.901715 0.193965 ] [ 0.811752 0.098285 0.193965 ] [ 0.79831 0.5 0.20049 ] [ 0.702053 0.799092 0.704651 ] [ 0.702053 0.200908 0.704651 ] [ 0.68556 0.396893 0.684975 ] [ 0.68556 0.603107 0.684975 ] [ 0.302209 0.796873 0.305186 ] [ 0.302209 0.203127 0.305186 ] [ 0.800713 0.299365 0.197426 ] [ 0.800713 0.700635 0.197426 ] [ 0.695602 0 0.688314 ] [ 0.315977 0 0.306884 ] [ 0.295822 0.398957 0.294696 ] [ 0.295822 0.601043 0.294696 ] [ 0.19881 0.904898 0.806322 ] [ 0.189124 0.29935 0.812273 ] [ 0.19881 0.095102 0.806322 ] [ 0.189124 0.70065 0.812273 ] [ 0.213431 0.5 0.783246 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.75466351 "source-unit" "angstrom" } "b" { "source-value" 15.50504713 "source-unit" "angstrom" } "c" { "source-value" 4.76634067 "source-unit" "angstrom" } "beta" { "source-value" 92.17771492 "source-unit" "degree" } }