{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.660062 0.839938 0.862623 ] [ 0.160062 0.660062 0.862623 ] [ 0.839938 0.339938 0.862623 ] [ 0.160062 0.660062 0.137377 ] [ 0.839938 0.339938 0.137377 ] [ 0.339938 0.160062 0.137377 ] [ 0.660062 0.839938 0.137377 ] [ 0.339938 0.160062 0.862623 ] [ 0.160062 0.339938 0.362623 ] [ 0.660062 0.160062 0.362623 ] [ 0.339938 0.839938 0.362623 ] [ 0.660062 0.160062 0.637377 ] [ 0.339938 0.839938 0.637377 ] [ 0.839938 0.660062 0.637377 ] [ 0.160062 0.339938 0.637377 ] [ 0.839938 0.660062 0.362623 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.71599701079 "source-unit" "angstrom" } "c" { "source-value" 11.3141514109 "source-unit" "angstrom" } }