{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.820315 ] [ 0 0.5 0.179685 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.680114 ] [ 0.5 0 0.319886 ] [ 0.564894 0.657275 0.802215 ] [ 0.842725 0.064894 0.802215 ] [ 0.342725 0.564894 0.197785 ] [ 0.064894 0.157275 0.197785 ] [ 0.935106 0.842725 0.197785 ] [ 0.657275 0.435106 0.197785 ] [ 0.157275 0.935106 0.802215 ] [ 0.435106 0.342725 0.802215 ] ] } "species" { "source-value" [ "Ag" "Ag" "B" "B" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83424001 "source-unit" "angstrom" } "c" { "source-value" 4.11244702 "source-unit" "angstrom" } }