{ "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" [ [ 0.941056 0.825735 0.90473 ] [ 0.558944 0.325735 0.09527 ] [ 0.058944 0.174265 0.09527 ] [ 0.441056 0.674265 0.90473 ] [ 0.477841 0.029584 0.801226 ] [ 0.022159 0.529584 0.198774 ] [ 0.522159 0.970416 0.198774 ] [ 0.977841 0.470416 0.801226 ] [ 0.262248 0.217193 0.66239 ] [ 0.237752 0.717193 0.33761 ] [ 0.737752 0.782807 0.33761 ] [ 0.762248 0.282807 0.66239 ] [ 0.587125 0.865043 0.608223 ] [ 0.912875 0.365043 0.391777 ] [ 0.412875 0.134957 0.391777 ] [ 0.087125 0.634957 0.608223 ] [ 0.673801 0.1207 0.943795 ] [ 0.826199 0.6207 0.056205 ] [ 0.326199 0.8793 0.056205 ] [ 0.173801 0.3793 0.943795 ] [ 0.236924 0.997728 0.896437 ] [ 0.263076 0.497728 0.103563 ] [ 0.763076 0.002272 0.103563 ] [ 0.736924 0.502272 0.896437 ] [ 0.413466 0.145715 0.646036 ] [ 0.086534 0.645715 0.353964 ] [ 0.586534 0.854285 0.353964 ] [ 0.913466 0.354285 0.646036 ] [ 0.593445 0.872981 0.7478 ] [ 0.906555 0.372981 0.2522 ] [ 0.406555 0.127019 0.2522 ] [ 0.093445 0.627019 0.7478 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.13923856 "source-unit" "angstrom" } "b" { "source-value" 7.99555558 "source-unit" "angstrom" } "c" { "source-value" 7.12222557 "source-unit" "angstrom" } "beta" { "source-value" 97.54348544 "source-unit" "degree" } }