{ "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" [ [ 0.992511 0 0.008497 ] [ 0.503867 0 0.004456 ] [ 0.214872 0.5 0.16909 ] [ 0.746841 0.5 0.1528 ] [ 0.999244 0 0.336746 ] [ 0.494681 0 0.344464 ] [ 0.75052 0.5 0.482969 ] [ 0.27531 0.5 0.503606 ] [ 0.996894 0 0.675515 ] [ 0.487605 0 0.671969 ] [ 0.245964 0.5 0.81872 ] [ 0.781554 0.5 0.835505 ] [ 0.901336 0.5 0.067777 ] [ 0.152526 0 0.098195 ] [ 0.644207 0 0.097052 ] [ 0.092876 0.5 0.272526 ] [ 0.39692 0.5 0.393551 ] [ 0.905204 0.5 0.398389 ] [ 0.650521 0 0.433775 ] [ 0.353417 0 0.567746 ] [ 0.410998 0.5 0.738375 ] [ 0.902083 0.5 0.72726 ] [ 0.154493 0 0.766579 ] [ 0.851706 0 0.901265 ] [ 0.400604 0.5 0.061897 ] [ 0.350262 0 0.226215 ] [ 0.835114 0 0.230205 ] [ 0.596498 0.5 0.263974 ] [ 0.155513 0 0.442116 ] [ 0.850446 0 0.564088 ] [ 0.096543 0.5 0.598082 ] [ 0.605956 0.5 0.606395 ] [ 0.657139 0 0.771678 ] [ 0.350484 0 0.904247 ] [ 0.105155 0.5 0.933175 ] [ 0.590137 0.5 0.931105 ] ] } "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" 9.48013024 "source-unit" "angstrom" } "b" { "source-value" 3.09471521 "source-unit" "angstrom" } "c" { "source-value" 14.1995264 "source-unit" "angstrom" } "beta" { "source-value" 90.31081009 "source-unit" "degree" } }