{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.761037 0.25 ] [ 0.5 0.238963 0.75 ] [ 0 0.261037 0.25 ] [ 0 0.738963 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.955091 0.75 ] [ 0.5 0.044909 0.25 ] [ 0 0.455091 0.75 ] [ 0 0.544909 0.25 ] [ 0.5 0.886832 0.536634 ] [ 0.5 0.113168 0.463366 ] [ 0.5 0.113168 0.036634 ] [ 0 0.052898 0.75 ] [ 0 0.947102 0.25 ] [ 0.5 0.886832 0.963366 ] [ 0 0.386832 0.536634 ] [ 0 0.613168 0.463366 ] [ 0 0.613168 0.036634 ] [ 0.5 0.552898 0.75 ] [ 0.5 0.447102 0.25 ] [ 0 0.386832 0.963366 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "U" "U" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13707766 "source-unit" "angstrom" } "b" { "source-value" 15.58497394 "source-unit" "angstrom" } "c" { "source-value" 10.54877551 "source-unit" "angstrom" } }