{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.761711 0.503473 0.233724 ] [ 0.761711 0.996527 0.233724 ] [ 0.238289 0.496527 0.766276 ] [ 0.238289 0.003473 0.766276 ] [ 0.220723 0.25 0.349933 ] [ 0.779277 0.75 0.650067 ] [ 0.273064 0.25 0.081313 ] [ 0.726936 0.75 0.918687 ] [ 0.277476 0.75 0.427666 ] [ 0.722524 0.25 0.572334 ] [ 0.700321 0.75 0.064775 ] [ 0.040927 0.25 0.146883 ] [ 0.468014 0.25 0.186158 ] [ 0.210118 0.939719 0.336568 ] [ 0.210118 0.560281 0.336568 ] [ 0.868094 0.25 0.425127 ] [ 0.569325 0.75 0.465794 ] [ 0.430675 0.25 0.534206 ] [ 0.131906 0.75 0.574873 ] [ 0.789882 0.439719 0.663432 ] [ 0.789882 0.060281 0.663432 ] [ 0.531986 0.75 0.813842 ] [ 0.959073 0.75 0.853117 ] [ 0.299679 0.25 0.935225 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "B" "B" "P" "P" "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" 5.28717934 "source-unit" "angstrom" } "b" { "source-value" 6.64449832 "source-unit" "angstrom" } "c" { "source-value" 9.07968972 "source-unit" "angstrom" } "beta" { "source-value" 91.3444811 "source-unit" "degree" } }