{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.161223 0.997872 0.498415 ] [ 0.661223 0.002128 0.998415 ] [ 0.286791 0.593352 0.337991 ] [ 0.786791 0.406648 0.837991 ] [ 0.563896 0.605655 0.735812 ] [ 0.063896 0.394345 0.235812 ] [ 0.977541 0.126149 0.995232 ] [ 0.477541 0.873851 0.495232 ] [ 0.456325 0.1298 0.864261 ] [ 0.956325 0.8702 0.364261 ] [ 0.567736 0.133136 0.12708 ] [ 0.067736 0.866864 0.62708 ] [ 0.641536 0.655922 0.002889 ] [ 0.141536 0.344078 0.502889 ] [ 0.569202 0.389538 0.367663 ] [ 0.069202 0.610462 0.867663 ] [ 0.38613 0.814076 0.233786 ] [ 0.88613 0.185924 0.733786 ] ] } "species" { "source-value" [ "Ga" "Ga" "Se" "Se" "Br" "Br" "Br" "Br" "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" 7.00651548544 "source-unit" "angstrom" } "b" { "source-value" 6.77328229 "source-unit" "angstrom" } "c" { "source-value" 15.2116808732 "source-unit" "angstrom" } "beta" { "source-value" 102.463765771 "source-unit" "degree" } }