{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.874001 0.25 0.875 ] [ 0.25 0.374001 0.625 ] [ 0.125999 0.75 0.875 ] [ 0.25 0.125999 0.125 ] [ 0.374001 0.75 0.375 ] [ 0.75 0.874001 0.125 ] [ 0.625999 0.25 0.375 ] [ 0.75 0.625999 0.625 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0.175491 0.074496 0.795998 ] [ 0.324509 0.074496 0.454002 ] [ 0.675491 0.925504 0.454002 ] [ 0.425504 0.824509 0.045998 ] [ 0.074496 0.824509 0.204002 ] [ 0.574496 0.175491 0.045998 ] [ 0.425504 0.675491 0.704002 ] [ 0.324509 0.425504 0.295998 ] [ 0.675491 0.574496 0.295998 ] [ 0.824509 0.574496 0.954002 ] [ 0.175491 0.425504 0.954002 ] [ 0.925504 0.324509 0.545998 ] [ 0.574496 0.324509 0.704002 ] [ 0.074496 0.675491 0.545998 ] [ 0.925504 0.175491 0.204002 ] [ 0.824509 0.925504 0.795998 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "U" "U" "U" "U" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.87327274 "source-unit" "angstrom" } "c" { "source-value" 8.83228346 "source-unit" "angstrom" } }