{ "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" [ [ 0.723892 0.34973 0.87938 ] [ 0.029467 0.743463 0.820175 ] [ 0.970533 0.243463 0.679825 ] [ 0.276108 0.84973 0.62062 ] [ 0.723892 0.15027 0.37938 ] [ 0.029467 0.756537 0.320175 ] [ 0.970533 0.256537 0.179825 ] [ 0.276108 0.65027 0.12062 ] [ 0.552927 0.082054 0.899571 ] [ 0.170092 0.488784 0.815471 ] [ 0.829908 0.988784 0.684529 ] [ 0.447073 0.582054 0.600429 ] [ 0.552927 0.417946 0.399571 ] [ 0.170092 0.011216 0.315471 ] [ 0.829908 0.511216 0.184529 ] [ 0.447073 0.917946 0.100429 ] [ 0.78958 0.882944 0.960934 ] [ 0.633576 0.669046 0.946145 ] [ 0.366424 0.169046 0.553855 ] [ 0.21042 0.382944 0.539066 ] [ 0.78958 0.617056 0.460934 ] [ 0.633576 0.830954 0.446145 ] [ 0.366424 0.330954 0.053855 ] [ 0.21042 0.117056 0.039066 ] [ 0.570661 0.792971 0.954225 ] [ 0.896989 0.169284 0.973469 ] [ 0.216929 0.026946 0.91938 ] [ 0.329616 0.620012 0.910781 ] [ 0.074788 0.36049 0.869113 ] [ 0.708595 0.653973 0.807295 ] [ 0.614558 0.931328 0.774544 ] [ 0.385442 0.431328 0.725456 ] [ 0.291405 0.153973 0.692705 ] [ 0.925212 0.86049 0.630887 ] [ 0.670384 0.120012 0.589219 ] [ 0.783071 0.526946 0.58062 ] [ 0.103011 0.669284 0.526531 ] [ 0.429339 0.292971 0.545775 ] [ 0.570661 0.707029 0.454225 ] [ 0.896989 0.330716 0.473469 ] [ 0.216929 0.473054 0.41938 ] [ 0.329616 0.879988 0.410781 ] [ 0.074788 0.13951 0.369113 ] [ 0.708595 0.846027 0.307295 ] [ 0.614558 0.568672 0.274544 ] [ 0.385442 0.068672 0.225456 ] [ 0.291405 0.346027 0.192705 ] [ 0.925212 0.63951 0.130887 ] [ 0.670384 0.379988 0.089219 ] [ 0.783071 0.973054 0.08062 ] [ 0.103011 0.830716 0.026531 ] [ 0.429339 0.207029 0.045775 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.49347801 "source-unit" "angstrom" } "b" { "source-value" 13.15279945 "source-unit" "angstrom" } "c" { "source-value" 9.69265426 "source-unit" "angstrom" } "beta" { "source-value" 123.59880331 "source-unit" "degree" } }