{ "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" [ [ 0.528866 0.75 0.254168 ] [ 0.471134 0.25 0.745832 ] [ 0.962235 0.25 0.140949 ] [ 0.871632 0.25 0.556165 ] [ 0.037765 0.75 0.859051 ] [ 0.128368 0.75 0.443835 ] [ 0.987222 0.75 0.211962 ] [ 0.012778 0.25 0.788038 ] [ 0.425586 0.75 0.567526 ] [ 0.241587 0.25 0.124689 ] [ 0.574414 0.25 0.432474 ] [ 0.662972 0.25 0.100701 ] [ 0.758413 0.75 0.875311 ] [ 0.901979 0.75 0.56196 ] [ 0.337028 0.75 0.899299 ] [ 0.098021 0.25 0.43804 ] ] } "species" { "source-value" [ "Cs" "Cs" "Hg" "Hg" "Hg" "Hg" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.63027154492 "source-unit" "angstrom" } "b" { "source-value" 6.5686943 "source-unit" "angstrom" } "c" { "source-value" 11.6293866117 "source-unit" "angstrom" } "beta" { "source-value" 107.292538792 "source-unit" "degree" } }