{ "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 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.746912 0.274946 0.138092 ] [ 0.274946 0.253088 0.861908 ] [ 0.725054 0.746912 0.861908 ] [ 0.253088 0.725054 0.138092 ] [ 0.246912 0.774946 0.638092 ] [ 0.774946 0.753088 0.361908 ] [ 0.225054 0.246912 0.361908 ] [ 0.753088 0.225054 0.638092 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.27269182477 "source-unit" "angstrom" } "c" { "source-value" 12.0142234841 "source-unit" "angstrom" } }