{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.271613 0.5 0.375476 ] [ 0.728387 0.5 0.624524 ] [ 0.5 0 0.5 ] [ 0.771613 0 0.375476 ] [ 0.228387 0 0.624524 ] [ 0 0.5 0.5 ] [ 0.310189 0.249069 0.287739 ] [ 0.810189 0.250931 0.287739 ] [ 0.689811 0.750931 0.712261 ] [ 0.189811 0.749069 0.712261 ] [ 0.921895 0 0.676665 ] [ 0.078105 0 0.323335 ] [ 0.944145 0.5 0.71349 ] [ 0.055855 0.5 0.28651 ] [ 0.810189 0.749069 0.287739 ] [ 0.310189 0.750931 0.287739 ] [ 0.189811 0.250931 0.712261 ] [ 0.689811 0.249069 0.712261 ] [ 0.421895 0.5 0.676665 ] [ 0.578105 0.5 0.323335 ] [ 0.444145 0 0.71349 ] [ 0.555855 0 0.28651 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 9.75393541 "source-unit" "angstrom" } "b" { "source-value" 5.69231505 "source-unit" "angstrom" } "c" { "source-value" 7.12450694 "source-unit" "angstrom" } "beta" { "source-value" 132.59954448 "source-unit" "degree" } }