{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.098656 0 0.700962 ] [ 0.5 0 0.5 ] [ 0.901344 0 0.299038 ] [ 0.895086 0.5 0.801789 ] [ 0.300231 0.5 0.600545 ] [ 0.699769 0.5 0.399455 ] [ 0.301225 0 0.099377 ] [ 0.104914 0.5 0.198211 ] [ 0.5 0.5 0 ] [ 0.698775 0 0.900623 ] [ 0.685913 0 0.808094 ] [ 0.907973 0.5 0.893678 ] [ 0.322431 0.5 0.692217 ] [ 0.106015 0 0.797256 ] [ 0.876012 0.5 0.709112 ] [ 0.510498 0 0.596963 ] [ 0.089362 0 0.604175 ] [ 0.277247 0.5 0.508716 ] [ 0.489502 0 0.403037 ] [ 0.722753 0.5 0.491284 ] [ 0.910638 0 0.395825 ] [ 0.677569 0.5 0.307783 ] [ 0.314087 0 0.191906 ] [ 0.123988 0.5 0.290888 ] [ 0.893985 0 0.202744 ] [ 0.290722 0 0.006862 ] [ 0.510013 0.5 0.092425 ] [ 0.092027 0.5 0.106322 ] [ 0.709278 0 0.993138 ] [ 0.489987 0.5 0.907575 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.78963987 "source-unit" "angstrom" } "b" { "source-value" 2.89538211 "source-unit" "angstrom" } "c" { "source-value" 20.58771034 "source-unit" "angstrom" } "beta" { "source-value" 97.75987143 "source-unit" "degree" } }