{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.360422 ] [ 0.666667 0.333333 0.693756 ] [ 0.333333 0.666667 0.027089 ] [ 0 0 0.639578 ] [ 0.666667 0.333333 0.972911 ] [ 0.333333 0.666667 0.306244 ] [ 0 0 0.157903 ] [ 0.666667 0.333333 0.491236 ] [ 0.333333 0.666667 0.82457 ] [ 0 0 0.842097 ] [ 0.666667 0.333333 0.17543 ] [ 0.333333 0.666667 0.508764 ] [ 0.618457 0.988569 0.426467 ] [ 0.285124 0.321902 0.7598 ] [ 0.95179 0.655236 0.093134 ] [ 0.370112 0.381543 0.426467 ] [ 0.036779 0.714876 0.7598 ] [ 0.703445 0.04821 0.093134 ] [ 0.011431 0.629888 0.426467 ] [ 0.678098 0.963221 0.7598 ] [ 0.344764 0.296555 0.093134 ] [ 0.381543 0.011431 0.573533 ] [ 0.04821 0.344764 0.906866 ] [ 0.714876 0.678098 0.2402 ] [ 0.988569 0.370112 0.573533 ] [ 0.655236 0.703445 0.906866 ] [ 0.321902 0.036779 0.2402 ] [ 0.629888 0.618457 0.573533 ] [ 0.296555 0.95179 0.906866 ] [ 0.963221 0.285124 0.2402 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.78466850909 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }