{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.803074 0.196926 0.5 ] [ 0.696926 0.696926 0 ] [ 0.303074 0.303074 0 ] [ 0.196926 0.803074 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.85368132 "source-unit" "angstrom" } "c" { "source-value" 4.42291566 "source-unit" "angstrom" } }