{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.785623 0.83302 ] [ 0.75 0.214377 0.16698 ] [ 0.75 0.285623 0.66698 ] [ 0.25 0.714377 0.33302 ] [ 0.25 0.710563 0.666184 ] [ 0.75 0.289437 0.333816 ] [ 0.75 0.210563 0.833816 ] [ 0.25 0.789437 0.166184 ] [ 0.25 0.779856 0.50199 ] [ 0.75 0.220144 0.49801 ] [ 0.75 0.279856 0.99801 ] [ 0.25 0.720144 0.00199 ] [ 0.25 0.412755 0.898035 ] [ 0.75 0.587245 0.101965 ] [ 0.75 0.912755 0.601965 ] [ 0.25 0.087245 0.398035 ] [ 0.25 0.411338 0.766335 ] [ 0.75 0.588662 0.233665 ] [ 0.75 0.911338 0.733665 ] [ 0.25 0.088662 0.266335 ] [ 0.25 0.409767 0.572666 ] [ 0.75 0.590233 0.427334 ] [ 0.75 0.909767 0.927334 ] [ 0.25 0.090233 0.072666 ] [ 0.25 0.421662 0.092653 ] [ 0.75 0.578338 0.907347 ] [ 0.75 0.921662 0.407347 ] [ 0.25 0.078338 0.592653 ] [ 0.25 0.419638 0.238824 ] [ 0.75 0.580362 0.761176 ] [ 0.75 0.919638 0.261176 ] [ 0.25 0.080362 0.738824 ] [ 0.25 0.416117 0.432719 ] [ 0.75 0.583883 0.567281 ] [ 0.75 0.916117 0.067281 ] [ 0.25 0.083883 0.932719 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.48406749 "source-unit" "angstrom" } "b" { "source-value" 7.71625123 "source-unit" "angstrom" } "c" { "source-value" 21.66169441 "source-unit" "angstrom" } }