{ "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" [ [ 0.339103 0.75 0.936581 ] [ 0.951925 0.25 0.381432 ] [ 0.222692 0.75 0.314118 ] [ 0.048075 0.75 0.618568 ] [ 0.726051 0.75 0.857948 ] [ 0.46119 0.75 0.601782 ] [ 0.660897 0.25 0.063419 ] [ 0.53881 0.25 0.398218 ] [ 0.273949 0.25 0.142052 ] [ 0.777308 0.25 0.685882 ] [ 0.86981 0.75 0.200782 ] [ 0.13019 0.25 0.799218 ] [ 0.557277 0.75 0.20958 ] [ 0.253669 0.25 0.564807 ] [ 0.746331 0.75 0.435193 ] [ 0.442723 0.25 0.79042 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.756981 0.543283 0.508035 ] [ 0.052893 0.042226 0.835113 ] [ 0.947107 0.542226 0.164887 ] [ 0.476092 0.544142 0.175057 ] [ 0.243019 0.043283 0.491965 ] [ 0.476092 0.955858 0.175057 ] [ 0.709278 0.75 0.147442 ] [ 0.129083 0.25 0.658536 ] [ 0.398796 0.25 0.649759 ] [ 0.947107 0.957774 0.164887 ] [ 0.601204 0.75 0.350241 ] [ 0.052893 0.457774 0.835113 ] [ 0.290722 0.25 0.852558 ] [ 0.243019 0.456717 0.491965 ] [ 0.523908 0.455858 0.824943 ] [ 0.756981 0.956717 0.508035 ] [ 0.523908 0.044142 0.824943 ] [ 0.870917 0.75 0.341464 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "Si" "Si" "Ag" "Ag" "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" 9.89165497928 "source-unit" "angstrom" } "b" { "source-value" 6.62056374 "source-unit" "angstrom" } "c" { "source-value" 11.7952503951 "source-unit" "angstrom" } "beta" { "source-value" 93.8214359205 "source-unit" "degree" } }