{ "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 0 0 ] [ 0.309679 0.021344 0.342153 ] [ 0.690321 0.978656 0.657847 ] [ 0.690321 0.521344 0.157847 ] [ 0.309679 0.478656 0.842153 ] [ 0 0.5 0.5 ] [ 0.698791 0.20184 0.497397 ] [ 0.018791 0.168822 0.834916 ] [ 0.301209 0.70184 0.002603 ] [ 0.981209 0.668822 0.665084 ] [ 0.698791 0.29816 0.997397 ] [ 0.018791 0.331178 0.334916 ] [ 0.981209 0.831178 0.165084 ] [ 0.301209 0.79816 0.502603 ] [ 0.369806 0.214563 0.170596 ] [ 0.630194 0.714563 0.329404 ] [ 0.369806 0.285437 0.670596 ] [ 0.630194 0.785437 0.829404 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.65871808 "source-unit" "angstrom" } "b" { "source-value" 4.65634393 "source-unit" "angstrom" } "c" { "source-value" 10.25937885 "source-unit" "angstrom" } "beta" { "source-value" 116.49338859 "source-unit" "degree" } }