{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.906201 ] [ 0.5 0.5 0.656201 ] [ 0 0 0.843799 ] [ 0 0.5 0.093799 ] [ 0 0.5 0.406201 ] [ 0 0 0.156201 ] [ 0.5 0.5 0.343799 ] [ 0.5 0 0.593799 ] [ 0.5 0 0.053139 ] [ 0.5 0.5 0.803139 ] [ 0 0 0.696861 ] [ 0 0.5 0.946861 ] [ 0 0.5 0.553139 ] [ 0 0 0.303139 ] [ 0.5 0.5 0.196861 ] [ 0.5 0 0.446861 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "W" "W" "W" "W" "W" "W" "W" "W" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.14574256 "source-unit" "angstrom" } "c" { "source-value" 17.04373666 "source-unit" "angstrom" } }