{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.025583 ] [ 0.706806 0.293194 0.121038 ] [ 0.293194 0.706806 0.121038 ] [ 0.706806 0.706806 0.121038 ] [ 0.293194 0.293194 0.121038 ] [ 0.5 0 0.730018 ] [ 0 0.5 0.730018 ] [ 0 0 0.49023 ] [ 0.5 0.5 0.418511 ] [ 0.766383 0.233617 0.968322 ] [ 0.233617 0.766383 0.968322 ] [ 0.766383 0.766383 0.968322 ] [ 0.233617 0.233617 0.968322 ] ] } "species" { "source-value" [ "Cu" "H" "H" "H" "H" "Pb" "Pb" "Cl" "Cl" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.96629987 "source-unit" "angstrom" } "c" { "source-value" 5.56247023 "source-unit" "angstrom" } }