{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.333708 0.605521 0.162264 ] [ 0.666292 0.105521 0.337736 ] [ 0.666292 0.394479 0.837736 ] [ 0.333708 0.894479 0.662264 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.19634 0.24945 0.84051 ] [ 0.80366 0.75055 0.15949 ] [ 0.19634 0.25055 0.34051 ] [ 0.80366 0.74945 0.65949 ] [ 0.034317 0.690813 0.683474 ] [ 0.965683 0.190813 0.816526 ] [ 0.593927 0.662256 0.614209 ] [ 0.593927 0.837744 0.114209 ] [ 0.406073 0.162256 0.885791 ] [ 0.406073 0.337744 0.385791 ] [ 0.788935 0.592095 0.18006 ] [ 0.211065 0.092095 0.31994 ] [ 0.211065 0.407905 0.81994 ] [ 0.788935 0.907905 0.68006 ] [ 0.034317 0.809187 0.183474 ] [ 0.965683 0.309187 0.316526 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "B" "B" "B" "B" "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" 5.87410009 "source-unit" "angstrom" } "b" { "source-value" 8.83873668 "source-unit" "angstrom" } "c" { "source-value" 6.12421899 "source-unit" "angstrom" } "beta" { "source-value" 117.430188 "source-unit" "degree" } }