{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.706637 0.5 0.618151 ] [ 0.293363 0.5 0.381849 ] [ 0.059783 0.5 0.860528 ] [ 0.940217 0.5 0.139472 ] [ 0.206637 0 0.618151 ] [ 0.793363 0 0.381849 ] [ 0.559783 0 0.860528 ] [ 0.440217 0 0.139472 ] [ 0.924515 0 0.891903 ] [ 0.075485 0 0.108097 ] [ 0.424515 0.5 0.891903 ] [ 0.575485 0.5 0.108097 ] [ 0.126378 0 0.301834 ] [ 0.873622 0 0.698166 ] [ 0.626378 0.5 0.301834 ] [ 0.373622 0.5 0.698166 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.24851329 "source-unit" "angstrom" } "b" { "source-value" 3.6607272 "source-unit" "angstrom" } "c" { "source-value" 9.56957267 "source-unit" "angstrom" } "beta" { "source-value" 131.10610513 "source-unit" "degree" } }