{ "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" [ [ 0.506838 0.719725 0.880172 ] [ 0.493162 0.280275 0.119828 ] [ 0.493162 0.219725 0.619828 ] [ 0.506838 0.780275 0.380172 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.810826 0.956015 0.798031 ] [ 0.801567 0.532677 0.607221 ] [ 0.189174 0.456015 0.701969 ] [ 0.801567 0.967323 0.107221 ] [ 0.189174 0.043985 0.201969 ] [ 0.810826 0.543985 0.298031 ] [ 0.198433 0.467323 0.392779 ] [ 0.198433 0.032677 0.892779 ] [ 0.906761 0.245112 0.466639 ] [ 0.906761 0.254888 0.966639 ] [ 0.093239 0.745112 0.033361 ] [ 0.093239 0.754888 0.533361 ] [ 0.695641 0.56934 0.183361 ] [ 0.682535 0.552771 0.665101 ] [ 0.317465 0.052771 0.834899 ] [ 0.317465 0.447229 0.334899 ] [ 0.682535 0.947229 0.165101 ] [ 0.304359 0.06934 0.316639 ] [ 0.695641 0.93066 0.683361 ] [ 0.304359 0.43066 0.816639 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.45264828121 "source-unit" "angstrom" } "b" { "source-value" 9.57919035 "source-unit" "angstrom" } "c" { "source-value" 9.11572707509 "source-unit" "angstrom" } "beta" { "source-value" 106.729587114 "source-unit" "degree" } }