{ "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" [ [ 0.180024 0.775708 0.535532 ] [ 0.819976 0.275708 0.964468 ] [ 0.819976 0.224292 0.464468 ] [ 0.180024 0.724292 0.035532 ] [ 0.634372 0.788993 0.842288 ] [ 0.365628 0.288993 0.657712 ] [ 0.365628 0.211007 0.157712 ] [ 0.634372 0.711007 0.342288 ] [ 0.425951 0.001835 0.830902 ] [ 0.574049 0.501835 0.669098 ] [ 0.574049 0.998165 0.169098 ] [ 0.425951 0.498165 0.330902 ] [ 0.067791 0.019527 0.218721 ] [ 0.932209 0.519527 0.281279 ] [ 0.932209 0.980473 0.781279 ] [ 0.067791 0.480473 0.718721 ] [ 0.88141 0.91868 0.225435 ] [ 0.11859 0.41868 0.274565 ] [ 0.11859 0.08132 0.774565 ] [ 0.88141 0.58132 0.725435 ] [ 0.639978 0.677625 0.05126 ] [ 0.360022 0.177625 0.44874 ] [ 0.360022 0.322375 0.94874 ] [ 0.639978 0.822375 0.55126 ] [ 0.623149 0.704698 0.695639 ] [ 0.376851 0.204698 0.804361 ] [ 0.376851 0.295302 0.304361 ] [ 0.623149 0.795302 0.195639 ] [ 0.645131 0.634147 0.953019 ] [ 0.354869 0.134147 0.546981 ] [ 0.354869 0.365853 0.046981 ] [ 0.645131 0.865853 0.453019 ] [ 0.434963 0.872919 0.841271 ] [ 0.565037 0.372919 0.658729 ] [ 0.565037 0.127081 0.158729 ] [ 0.434963 0.627081 0.341271 ] [ 0.793597 0.914438 0.890892 ] [ 0.206403 0.414438 0.609108 ] [ 0.206403 0.085562 0.109108 ] [ 0.793597 0.585562 0.390892 ] [ 0.992688 0.975348 0.284675 ] [ 0.007312 0.475348 0.215325 ] [ 0.007312 0.024652 0.715325 ] [ 0.992688 0.524652 0.784675 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "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" 7.34085575 "source-unit" "angstrom" } "b" { "source-value" 7.82936893 "source-unit" "angstrom" } "c" { "source-value" 9.57589151 "source-unit" "angstrom" } "beta" { "source-value" 104.07425006 "source-unit" "degree" } }