{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0.75 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0 0.25 0.75 ] [ 0.75 0 0.25 ] [ 0.75 0.25 0 ] [ 0 0.5 0 ] [ 0 0.75 0.25 ] [ 0.25 0.5 0.25 ] [ 0.25 0.75 0 ] [ 0.5 0 0 ] [ 0.5 0.25 0.25 ] [ 0.25 0 0.75 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.75 0.75 ] [ 0.772215 0.977785 0.477785 ] [ 0.977785 0.772215 0.477785 ] [ 0.727785 0.022215 0.022215 ] [ 0.022215 0.022215 0.727785 ] [ 0.522215 0.227785 0.022215 ] [ 0.727785 0.727785 0.727785 ] [ 0.772215 0.272215 0.772215 ] [ 0.477785 0.977785 0.772215 ] [ 0.772215 0.477785 0.977785 ] [ 0.977785 0.272215 0.977785 ] [ 0.727785 0.522215 0.522215 ] [ 0.022215 0.522215 0.227785 ] [ 0.522215 0.727785 0.522215 ] [ 0.727785 0.227785 0.227785 ] [ 0.772215 0.772215 0.272215 ] [ 0.477785 0.477785 0.272215 ] [ 0.272215 0.977785 0.977785 ] [ 0.477785 0.772215 0.977785 ] [ 0.227785 0.022215 0.522215 ] [ 0.522215 0.022215 0.227785 ] [ 0.022215 0.227785 0.522215 ] [ 0.227785 0.727785 0.227785 ] [ 0.272215 0.272215 0.272215 ] [ 0.977785 0.977785 0.272215 ] [ 0.272215 0.477785 0.477785 ] [ 0.477785 0.272215 0.477785 ] [ 0.227785 0.522215 0.022215 ] [ 0.522215 0.522215 0.727785 ] [ 0.022215 0.727785 0.022215 ] [ 0.227785 0.227785 0.727785 ] [ 0.272215 0.772215 0.772215 ] [ 0.977785 0.477785 0.772215 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 9.10030015732 "source-unit" "angstrom" } }