{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.194959 0.694959 0.5 ] [ 0.694959 0.805041 0.5 ] [ 0.305041 0.194959 0.5 ] [ 0.805041 0.305041 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.393678 0.893678 0.792925 ] [ 0.606322 0.106322 0.792925 ] [ 0.106322 0.393678 0.792925 ] [ 0.893678 0.606322 0.792925 ] [ 0.393678 0.893678 0.207075 ] [ 0.893678 0.606322 0.207075 ] [ 0.848739 0.348739 0 ] [ 0.348739 0.151261 0 ] [ 0.651261 0.848739 0 ] [ 0.151261 0.651261 0 ] [ 0.606322 0.106322 0.207075 ] [ 0.106322 0.393678 0.207075 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ge" "Ge" "F" "F" "F" "F" "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" 8.58169747 "source-unit" "angstrom" } "c" { "source-value" 6.33167825 "source-unit" "angstrom" } }