{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.295454 0.074095 0.712114 ] [ 0.704546 0.074095 0.787886 ] [ 0.95516 0.752702 0.013026 ] [ 0.295454 0.925905 0.212114 ] [ 0.95516 0.247298 0.513026 ] [ 0.04484 0.247298 0.986974 ] [ 0.04484 0.752702 0.486974 ] [ 0.704546 0.925905 0.287886 ] [ 0.795454 0.574095 0.712114 ] [ 0.204546 0.574095 0.787886 ] [ 0.45516 0.252702 0.013026 ] [ 0.795454 0.425905 0.212114 ] [ 0.45516 0.747298 0.513026 ] [ 0.54484 0.747298 0.986974 ] [ 0.54484 0.252702 0.486974 ] [ 0.204546 0.425905 0.287886 ] [ 0.766228 0.92141 0.558384 ] [ 0.766228 0.07859 0.058384 ] [ 0.233772 0.92141 0.941616 ] [ 0 0.072648 0.25 ] [ 0.233772 0.07859 0.441616 ] [ 0 0.927352 0.75 ] [ 0.266228 0.42141 0.558384 ] [ 0.266228 0.57859 0.058384 ] [ 0.733772 0.42141 0.941616 ] [ 0.5 0.572648 0.25 ] [ 0.733772 0.57859 0.441616 ] [ 0.5 0.427352 0.75 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.37766082506 "source-unit" "angstrom" } "b" { "source-value" 4.88183323776 "source-unit" "angstrom" } "c" { "source-value" 7.80231786351 "source-unit" "angstrom" } "beta" { "source-value" 102.361461987 "source-unit" "degree" } }