{ "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 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.333333 0.666667 0.166667 ] [ 1 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.666667 0.333333 0.098352 ] [ 0.333333 0.666667 0.901648 ] [ 0.333333 0.666667 0.431685 ] [ 0 0 0.234981 ] [ 0 0 0.765019 ] [ 0.666667 0.333333 0.568315 ] [ 0.4138 0.376741 0.094793 ] [ 0.623259 0.037059 0.094793 ] [ 0.037059 0.4138 0.905207 ] [ 0.5862 0.623259 0.905207 ] [ 0.376741 0.962941 0.905207 ] [ 0.962941 0.5862 0.094793 ] [ 0.080467 0.710074 0.428127 ] [ 0.289926 0.370393 0.428127 ] [ 0.703726 0.747133 0.23854 ] [ 0.252867 0.956593 0.23854 ] [ 0.043407 0.296274 0.23854 ] [ 0.629607 0.919533 0.428127 ] [ 0.747133 0.043407 0.76146 ] [ 0.956593 0.703726 0.76146 ] [ 0.370393 0.080467 0.571873 ] [ 0.919533 0.289926 0.571873 ] [ 0.710074 0.629607 0.571873 ] [ 0.296274 0.252867 0.76146 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sn" "Sn" "Sn" "B" "B" "B" "B" "B" "B" "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" 4.99957062 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }