{ "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 0 ] [ 0.5 0.5 0 ] [ 0.0205 0.5 0.724841 ] [ 0.9795 0.5 0.275159 ] [ 0.5205 0 0.724841 ] [ 0.4795 0 0.275159 ] [ 0.846519 0 0.683118 ] [ 0.820507 0.5 0.945921 ] [ 0.153481 0 0.316882 ] [ 0.179493 0.5 0.054079 ] [ 0.346519 0.5 0.683118 ] [ 0.320507 0 0.945921 ] [ 0.653481 0.5 0.316882 ] [ 0.679493 0 0.054079 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "In" "In" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.602819403 "source-unit" "angstrom" } "b" { "source-value" 3.94276456742 "source-unit" "angstrom" } "c" { "source-value" 11.8094043321 "source-unit" "angstrom" } "beta" { "source-value" 138.845602474 "source-unit" "degree" } }