{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.822981 ] [ 0.5 0.5 0.177019 ] [ 0 0 0.322981 ] [ 0 0 0.677019 ] [ 0.194355 0.174013 0.17083 ] [ 0.825987 0.194355 0.82917 ] [ 0.174013 0.805645 0.82917 ] [ 0.805645 0.825987 0.17083 ] [ 0.74395 0.298768 0.05878 ] [ 0.701232 0.74395 0.94122 ] [ 0.298768 0.25605 0.94122 ] [ 0.25605 0.701232 0.05878 ] [ 0.694355 0.674013 0.67083 ] [ 0.325987 0.694355 0.32917 ] [ 0.674013 0.305645 0.32917 ] [ 0.305645 0.325987 0.67083 ] [ 0.24395 0.798768 0.55878 ] [ 0.201232 0.24395 0.44122 ] [ 0.798768 0.75605 0.44122 ] [ 0.75605 0.201232 0.55878 ] ] } "species" { "source-value" [ "Tb" "Tb" "Cd" "Cd" "Cd" "Cd" "F" "F" "F" "F" "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" 5.33844081723 "source-unit" "angstrom" } "c" { "source-value" 11.4927769802 "source-unit" "angstrom" } }