{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.333569 0.666431 0.166431 ] [ 0.333569 0.833569 0.666431 ] [ 0.166431 0.333569 0.666431 ] [ 0.166431 0.166431 0.166431 ] [ 0.833569 0.666431 0.333569 ] [ 0.833569 0.833569 0.833569 ] [ 0.666431 0.166431 0.333569 ] [ 0.666431 0.333569 0.833569 ] [ 0.451214 0.717489 0.66811 ] [ 0.451214 0.782511 0.16811 ] [ 0.33189 0.951214 0.782511 ] [ 0.33189 0.548786 0.282511 ] [ 0.282511 0.16811 0.048786 ] [ 0.282511 0.33189 0.548786 ] [ 0.217489 0.83189 0.548786 ] [ 0.217489 0.66811 0.048786 ] [ 0.16811 0.451214 0.782511 ] [ 0.16811 0.048786 0.282511 ] [ 0.048786 0.217489 0.66811 ] [ 0.048786 0.282511 0.16811 ] [ 0.951214 0.717489 0.83189 ] [ 0.951214 0.782511 0.33189 ] [ 0.83189 0.951214 0.717489 ] [ 0.83189 0.548786 0.217489 ] [ 0.782511 0.16811 0.451214 ] [ 0.782511 0.33189 0.951214 ] [ 0.717489 0.66811 0.451214 ] [ 0.717489 0.83189 0.951214 ] [ 0.66811 0.048786 0.217489 ] [ 0.66811 0.451214 0.717489 ] [ 0.548786 0.217489 0.83189 ] [ 0.548786 0.282511 0.33189 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "N" "N" "N" "N" "N" "N" "N" "N" "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" } "a" { "source-value" 7.6377665 "source-unit" "angstrom" } }