{ "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 0 ] [ 0.5 0.5 0.5 ] [ 0.812362 0.187638 0.1292 ] [ 0.187638 0.187638 0.8708 ] [ 0.812362 0.812362 0.8708 ] [ 0.187638 0.812362 0.1292 ] [ 0.312362 0.687638 0.6292 ] [ 0.687638 0.687638 0.3708 ] [ 0.312362 0.312362 0.3708 ] [ 0.687638 0.312362 0.6292 ] ] } "species" { "source-value" [ "C" "C" "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" 6.68794411853 "source-unit" "angstrom" } "c" { "source-value" 9.82789617989 "source-unit" "angstrom" } }