{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.947701 0.328638 ] [ 0.75 0.052299 0.671362 ] [ 0.25 0.447701 0.171362 ] [ 0.75 0.552299 0.828638 ] [ 0.25 0.660019 0.55305 ] [ 0.75 0.339981 0.44695 ] [ 0.25 0.160019 0.94695 ] [ 0.75 0.839981 0.05305 ] [ 0.75 0.982624 0.899946 ] [ 0.25 0.017376 0.100054 ] [ 0.75 0.482624 0.600054 ] [ 0.25 0.517376 0.399946 ] [ 0.75 0.725644 0.206702 ] [ 0.25 0.274356 0.793298 ] [ 0.75 0.225644 0.293298 ] [ 0.25 0.774356 0.706702 ] [ 0.75 0.821167 0.494137 ] [ 0.25 0.178833 0.505863 ] [ 0.75 0.321167 0.005863 ] [ 0.25 0.678833 0.994137 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Fe" "Fe" "Fe" "Fe" "I" "I" "I" "I" "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" 4.28990697 "source-unit" "angstrom" } "b" { "source-value" 10.10913807 "source-unit" "angstrom" } "c" { "source-value" 16.14088379 "source-unit" "angstrom" } }