{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.131027 0.25 ] [ 0 0.868973 0.75 ] [ 0.5 0.631027 0.25 ] [ 0.5 0.368973 0.75 ] [ 0.844794 0.33377 0.364839 ] [ 0.155206 0.33377 0.135161 ] [ 0.155206 0.66623 0.635161 ] [ 0.844794 0.66623 0.864839 ] [ 0.344794 0.83377 0.364839 ] [ 0.655206 0.83377 0.135161 ] [ 0.655206 0.16623 0.635161 ] [ 0.344794 0.16623 0.864839 ] [ 0.926914 0.399452 0.30134 ] [ 0.073086 0.399452 0.19866 ] [ 0.073086 0.600548 0.69866 ] [ 0.926914 0.600548 0.80134 ] [ 0.426914 0.899452 0.30134 ] [ 0.573086 0.899452 0.19866 ] [ 0.573086 0.100548 0.69866 ] [ 0.426914 0.100548 0.80134 ] [ 0.822517 0.034648 0.388217 ] [ 0.177483 0.034648 0.111783 ] [ 0.822517 0.965352 0.888217 ] [ 0.177483 0.965352 0.611783 ] [ 0.322517 0.534648 0.388217 ] [ 0.677483 0.534648 0.111783 ] [ 0.322517 0.465352 0.888217 ] [ 0.677483 0.465352 0.611783 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.80033471 "source-unit" "angstrom" } "b" { "source-value" 4.72373172 "source-unit" "angstrom" } "c" { "source-value" 7.8570433 "source-unit" "angstrom" } "beta" { "source-value" 95.21182655 "source-unit" "degree" } }