{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4" } "basis-atom-coordinates" { "source-value" [ [ 0.455573 0.732123 0.844729 ] [ 0.544427 0.267877 0.844729 ] [ 0.732123 0.544427 0.155271 ] [ 0.267877 0.455573 0.155271 ] [ 0.646874 0.17347 0.361591 ] [ 0.17347 0.353126 0.638409 ] [ 0.82653 0.646874 0.638409 ] [ 0.353126 0.82653 0.361591 ] [ 0.775077 0.096671 0.804565 ] [ 0.224923 0.903329 0.804565 ] [ 0.903329 0.775077 0.195435 ] [ 0.096671 0.224923 0.195435 ] [ 0.5 0 0.222437 ] [ 0.331837 0.413907 0.860928 ] [ 0.532226 0.769888 0.555999 ] [ 0.769888 0.467774 0.444001 ] [ 0.467774 0.230112 0.555999 ] [ 0.413907 0.668163 0.139072 ] [ 0 0.5 0.777563 ] [ 0.230112 0.532226 0.444001 ] [ 0.668163 0.586093 0.860928 ] [ 0.586093 0.331837 0.139072 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "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" 7.75237335 "source-unit" "angstrom" } "c" { "source-value" 6.39190347 "source-unit" "angstrom" } }