{ "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 0.166513 0 ] [ 0 0.833487 0 ] [ 0.5 0.666513 0 ] [ 0.5 0.333487 0 ] [ 0.236868 0.186605 0.775885 ] [ 0.763132 0.186605 0.224115 ] [ 0.198582 0 0.229103 ] [ 0.801418 0 0.770897 ] [ 0.236868 0.813395 0.775885 ] [ 0.763132 0.813395 0.224115 ] [ 0.736868 0.686605 0.775885 ] [ 0.263132 0.686605 0.224115 ] [ 0.698582 0.5 0.229103 ] [ 0.301418 0.5 0.770897 ] [ 0.736868 0.313395 0.775885 ] [ 0.263132 0.313395 0.224115 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.00857565739 "source-unit" "angstrom" } "b" { "source-value" 12.1032700638 "source-unit" "angstrom" } "c" { "source-value" 7.06619994736 "source-unit" "angstrom" } "beta" { "source-value" 109.784014045 "source-unit" "degree" } }