{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.993664 ] [ 0 0 0.839669 ] [ 0 0 0.160331 ] [ 0.333333 0.666667 0.006336 ] [ 0.333333 0.666667 0.326998 ] [ 0.666667 0.333333 0.173002 ] [ 0.666667 0.333333 0.493664 ] [ 0 0 0.339669 ] [ 0 0 0.660331 ] [ 0.333333 0.666667 0.506336 ] [ 0.333333 0.666667 0.826998 ] [ 0.666667 0.333333 0.673002 ] [ 0.011149 0.666667 0.916667 ] [ 0.655517 0.988851 0.916667 ] [ 0.333333 0.344483 0.916667 ] [ 0.666667 0.655517 0.083333 ] [ 0.344483 0.011149 0.083333 ] [ 0.988851 0.333333 0.083333 ] [ 0.677816 0 0.25 ] [ 0.322184 0.322184 0.25 ] [ 0 0.677816 0.25 ] [ 0.333333 0.988851 0.416667 ] [ 0.011149 0.344483 0.416667 ] [ 0.655517 0.666667 0.416667 ] [ 0.344483 0.333333 0.583333 ] [ 0.988851 0.655517 0.583333 ] [ 0.666667 0.011149 0.583333 ] [ 0 0.322184 0.75 ] [ 0.677816 0.677816 0.75 ] [ 0.322184 0 0.75 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.025397 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }