{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.767302 0.232698 0.134127 ] [ 0.232698 0.232698 0.865873 ] [ 0.232698 0.767302 0.134127 ] [ 0.767302 0.767302 0.865873 ] [ 0.267302 0.732698 0.634127 ] [ 0.732698 0.732698 0.365873 ] [ 0.732698 0.267302 0.634127 ] [ 0.267302 0.267302 0.365873 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20582976884 "source-unit" "angstrom" } "c" { "source-value" 12.5850178098 "source-unit" "angstrom" } }