{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.624133 0.315272 0.770545 ] [ 0.375867 0.684728 0.229455 ] [ 0.177772 0.472806 0.814477 ] [ 0.822228 0.527194 0.185523 ] [ 0.508118 0.757173 0.66308 ] [ 0.491882 0.242827 0.33692 ] [ 0.336467 0.290886 0.812784 ] [ 0.46873 0.254273 0.533999 ] [ 0.580761 0.012316 0.772017 ] [ 0.326431 0.379041 0.222373 ] [ 0.091198 0.677817 0.27136 ] [ 0.908802 0.322183 0.72864 ] [ 0.419239 0.987684 0.227983 ] [ 0.663533 0.709114 0.187216 ] [ 0.53127 0.745727 0.466001 ] [ 0.778064 0.360304 0.340088 ] [ 0.673569 0.620959 0.777628 ] [ 0.221936 0.639696 0.659912 ] [ 0.226018 0.646696 0.993957 ] [ 0.773982 0.353304 0.006043 ] ] } "species" { "source-value" [ "Rb" "Rb" "Al" "Al" "As" "As" "As" "As" "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" 6.35503658172 "source-unit" "angstrom" } "b" { "source-value" 6.43699883544 "source-unit" "angstrom" } "c" { "source-value" 8.41431764079 "source-unit" "angstrom" } "alpha" { "source-value" 96.8417872909 "source-unit" "degree" } "beta" { "source-value" 103.99642275 "source-unit" "degree" } "gamma" { "source-value" 102.579445605 "source-unit" "degree" } }