{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.334018 0.5 ] [ 0 0.665982 0.5 ] [ 0.5 0.834018 0.5 ] [ 0.5 0.165982 0.5 ] [ 0.081134 0.829906 0.227395 ] [ 0.918866 0.829906 0.772605 ] [ 0.081134 0.170094 0.227395 ] [ 0.918866 0.170094 0.772605 ] [ 0.581134 0.329906 0.227395 ] [ 0.418866 0.329906 0.772605 ] [ 0.581134 0.670094 0.227395 ] [ 0.418866 0.670094 0.772605 ] [ 0.140678 0.181719 0.383462 ] [ 0.051958 0 0.170894 ] [ 0.808095 0.252584 0.161258 ] [ 0.191905 0.747416 0.838742 ] [ 0.859322 0.818281 0.616538 ] [ 0.948042 0 0.829106 ] [ 0.140678 0.818281 0.383462 ] [ 0.191905 0.252584 0.838742 ] [ 0.859322 0.181719 0.616538 ] [ 0.808095 0.747416 0.161258 ] [ 0.640678 0.681719 0.383462 ] [ 0.551958 0.5 0.170894 ] [ 0.308095 0.752584 0.161258 ] [ 0.691905 0.247416 0.838742 ] [ 0.359322 0.318281 0.616538 ] [ 0.448042 0.5 0.829106 ] [ 0.640678 0.318281 0.383462 ] [ 0.691905 0.752584 0.838742 ] [ 0.359322 0.681719 0.616538 ] [ 0.308095 0.247416 0.161258 ] [ 0.405259 0 0.607405 ] [ 0.594741 0 0.392595 ] [ 0.905259 0.5 0.607405 ] [ 0.094741 0.5 0.392595 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.35043035745 "source-unit" "angstrom" } "b" { "source-value" 9.17293696729 "source-unit" "angstrom" } "c" { "source-value" 10.4286299692 "source-unit" "angstrom" } "beta" { "source-value" 101.353738119 "source-unit" "degree" } }