{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.151814 ] [ 0 0 0.848186 ] [ 0.5 0.5 0.651814 ] [ 0.5 0.5 0.348186 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.879364 ] [ 0.5 0.5 0.120636 ] [ 0.5 0 0 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0 ] [ 0 0 0.379364 ] [ 0 0 0.620636 ] [ 0 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "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" 4.20041466 "source-unit" "angstrom" } "c" { "source-value" 16.33883181 "source-unit" "angstrom" } }