{ "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 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.78533 0 0.197382 ] [ 0.21467 0 0.802618 ] [ 0.28533 0.5 0.197382 ] [ 0.71467 0.5 0.802618 ] [ 0.864109 0 0.945867 ] [ 0.928739 0.5 0.245512 ] [ 0.135891 0 0.054133 ] [ 0.071261 0.5 0.754488 ] [ 0.364109 0.5 0.945867 ] [ 0.428739 0 0.245512 ] [ 0.635891 0.5 0.054133 ] [ 0.571261 0 0.754488 ] [ 0.865739 0 0.566091 ] [ 0.134261 0 0.433909 ] [ 0.365739 0.5 0.566091 ] [ 0.634261 0.5 0.433909 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "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" 12.7710441477 "source-unit" "angstrom" } "b" { "source-value" 3.94064889 "source-unit" "angstrom" } "c" { "source-value" 9.533246494 "source-unit" "angstrom" } "beta" { "source-value" 91.6835942387 "source-unit" "degree" } }