{ "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" [ [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.262775 0.751372 0.86795 ] [ 0.248628 0.262775 0.13205 ] [ 0.751372 0.737225 0.13205 ] [ 0.737225 0.248628 0.86795 ] [ 0.762775 0.251372 0.36795 ] [ 0.748628 0.762775 0.63205 ] [ 0.251372 0.237225 0.63205 ] [ 0.237225 0.748628 0.36795 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Zn" "Zn" "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" 5.63194678 "source-unit" "angstrom" } "c" { "source-value" 10.9931679 "source-unit" "angstrom" } }