{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.971969 0.4149 0.264834 ] [ 0.528031 0.9149 0.235166 ] [ 0 0 0.5 ] [ 0.471969 0.0851 0.764834 ] [ 0.028031 0.5851 0.735166 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.183885 0.321077 0.5653 ] [ 0.316115 0.821077 0.9347 ] [ 0.831634 0.693884 0.080194 ] [ 0.668366 0.193884 0.419806 ] [ 0.168366 0.306116 0.919806 ] [ 0.331634 0.806116 0.580194 ] [ 0.858698 0.937101 0.762024 ] [ 0.641302 0.437101 0.737976 ] [ 0.141302 0.062899 0.237976 ] [ 0.358698 0.562899 0.262024 ] [ 0.683885 0.178923 0.0653 ] [ 0.816115 0.678923 0.4347 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Y" "Y" "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" 7.30558208382 "source-unit" "angstrom" } "b" { "source-value" 7.76749609 "source-unit" "angstrom" } "c" { "source-value" 10.9313633733 "source-unit" "angstrom" } "beta" { "source-value" 90.591477191 "source-unit" "degree" } }