{ "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" [ [ 0.092916 0.5 0.855638 ] [ 0.907084 0.5 0.144362 ] [ 0.592916 0 0.855638 ] [ 0.407084 0 0.144362 ] [ 0.912333 0 0.963027 ] [ 0.087667 0 0.036973 ] [ 0.412333 0.5 0.963027 ] [ 0.587667 0.5 0.036973 ] [ 0.203226 0 0.665897 ] [ 0.796774 0 0.334103 ] [ 0.703226 0.5 0.665897 ] [ 0.296774 0.5 0.334103 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "C" "C" "C" "C" "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" 7.08116936282 "source-unit" "angstrom" } "b" { "source-value" 3.84677352 "source-unit" "angstrom" } "c" { "source-value" 10.0442016745 "source-unit" "angstrom" } "beta" { "source-value" 99.6713873913 "source-unit" "degree" } }