{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.135466 0.5 0.426452 ] [ 0.864534 0.5 0.573548 ] [ 0.173585 0.5 0.164589 ] [ 0.826415 0.5 0.835411 ] [ 0.5 0.5 0.5 ] [ 0.477704 0 0.28644 ] [ 0.522296 0 0.71356 ] [ 0.772174 0.5 0.269902 ] [ 0.227826 0.5 0.730098 ] [ 0.882822 0 0.069819 ] [ 0.117178 0 0.930181 ] [ 0.26777 0 0.101899 ] [ 0.73223 0 0.898101 ] [ 0.555599 0.5 0.211114 ] [ 0.444401 0.5 0.788886 ] [ 0.066208 0 0.217051 ] [ 0.933792 0 0.782949 ] [ 0.61582 0 0.4574 ] [ 0.38418 0 0.5426 ] [ 0.767394 0.5 0.106599 ] [ 0.232606 0.5 0.893401 ] [ 0.870054 0 0.369014 ] [ 0.129946 0 0.630986 ] [ 0.35552 0.5 0.320637 ] [ 0.64448 0.5 0.679363 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "In" "In" "In" "In" "In" "In" "In" "In" "In" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.5798352393 "source-unit" "angstrom" } "b" { "source-value" 3.84557535 "source-unit" "angstrom" } "c" { "source-value" 15.6040469848 "source-unit" "angstrom" } "beta" { "source-value" 112.397797246 "source-unit" "degree" } }