{ "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" [ [ 0.403599 0.939084 0.302357 ] [ 0.596401 0.439084 0.197643 ] [ 0.596401 0.060916 0.697643 ] [ 0.403599 0.560916 0.802357 ] [ 0.029926 0.782204 0.358871 ] [ 0.970074 0.282204 0.141129 ] [ 0.970074 0.217796 0.641129 ] [ 0.029926 0.717796 0.858871 ] [ 0.256107 0.146026 0.992222 ] [ 0.743893 0.646026 0.507778 ] [ 0.743893 0.853974 0.007778 ] [ 0.256107 0.353974 0.492222 ] [ 0.233909 0.618875 0.12748 ] [ 0.766091 0.118875 0.37252 ] [ 0.766091 0.381125 0.87252 ] [ 0.233909 0.881125 0.62748 ] [ 0.333784 0.650326 0.031763 ] [ 0.666216 0.150326 0.468237 ] [ 0.666216 0.349674 0.968237 ] [ 0.333784 0.849674 0.531763 ] [ 0.088812 0.784401 0.120603 ] [ 0.911188 0.284401 0.379397 ] [ 0.911188 0.215599 0.879397 ] [ 0.088812 0.715599 0.620603 ] [ 0.284286 0.426891 0.232631 ] [ 0.715714 0.926891 0.267369 ] [ 0.715714 0.573109 0.767369 ] [ 0.284286 0.073109 0.732631 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4464873179 "source-unit" "angstrom" } "b" { "source-value" 6.469811 "source-unit" "angstrom" } "c" { "source-value" 13.2466506954 "source-unit" "angstrom" } "beta" { "source-value" 104.039204513 "source-unit" "degree" } }