{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.262033 0.72734 0.137921 ] [ 0.737967 0.27266 0.137921 ] [ 0.27266 0.262033 0.862079 ] [ 0.72734 0.737967 0.862079 ] [ 0.762033 0.22734 0.637921 ] [ 0.237967 0.77266 0.637921 ] [ 0.77266 0.762033 0.362079 ] [ 0.22734 0.237967 0.362079 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.87532228249 "source-unit" "angstrom" } "c" { "source-value" 10.9919926064 "source-unit" "angstrom" } }