{ "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 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.759647 0.264865 0.132836 ] [ 0.264865 0.240353 0.867164 ] [ 0.735135 0.759647 0.867164 ] [ 0.240353 0.735135 0.132836 ] [ 0.259647 0.764865 0.632836 ] [ 0.764865 0.740353 0.367164 ] [ 0.235135 0.259647 0.367164 ] [ 0.740353 0.235135 0.632836 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Zn" "Zn" "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" 6.09191787 "source-unit" "angstrom" } "c" { "source-value" 11.97653529 "source-unit" "angstrom" } }