{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/ncc" } "basis-atom-coordinates" { "source-value" [ [ 0.806049 0.193951 0.25 ] [ 0.693951 0.693951 0.25 ] [ 0.306049 0.306049 0.25 ] [ 0.193951 0.806049 0.25 ] [ 0.693951 0.306049 0.75 ] [ 0.806049 0.806049 0.75 ] [ 0.193951 0.193951 0.75 ] [ 0.306049 0.693951 0.75 ] [ 0 0.5 0.064849 ] [ 0 0.5 0.564849 ] [ 0.5 0 0.935151 ] [ 0.5 0 0.435151 ] [ 0.94574 0.265118 0.568884 ] [ 0.765118 0.55426 0.568884 ] [ 0.234882 0.44574 0.568884 ] [ 0.234882 0.55426 0.068884 ] [ 0.05426 0.265118 0.068884 ] [ 0.765118 0.44574 0.068884 ] [ 0.265118 0.05426 0.431116 ] [ 0.94574 0.734882 0.068884 ] [ 0.44574 0.765118 0.431116 ] [ 0.55426 0.234882 0.431116 ] [ 0.55426 0.765118 0.931116 ] [ 0.734882 0.94574 0.431116 ] [ 0.44574 0.234882 0.931116 ] [ 0.734882 0.05426 0.931116 ] [ 0.265118 0.94574 0.931116 ] [ 0.05426 0.734882 0.568884 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Pd" "Pd" "Pd" "Pd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.69582317 "source-unit" "angstrom" } "c" { "source-value" 7.68433072 "source-unit" "angstrom" } }