{ "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" [ [ 0.5 0.5 0.81858 ] [ 0.5 0.5 0.18142 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.31858 ] [ 0 0 0.68142 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.866569 ] [ 0 0 0.133431 ] [ 0.5 0.5 0.366569 ] [ 0.5 0.5 0.633431 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.8626576808 "source-unit" "angstrom" } "c" { "source-value" 16.9510004331 "source-unit" "angstrom" } }