{ "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" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.341159 0.341159 0 ] [ 0.841159 0.158841 0.5 ] [ 0.158841 0.841159 0.5 ] [ 0.658841 0.658841 0 ] [ 0.802962 0.197038 0 ] [ 0.697038 0.697038 0.5 ] [ 0.302962 0.302962 0.5 ] [ 0.197038 0.802962 0 ] [ 0.121003 0.121003 0.216156 ] [ 0.621003 0.378997 0.716156 ] [ 0.378997 0.621003 0.716156 ] [ 0.878997 0.878997 0.216156 ] [ 0.378997 0.621003 0.283844 ] [ 0.621003 0.378997 0.283844 ] [ 0.121003 0.121003 0.783844 ] [ 0.878997 0.878997 0.783844 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68481198 "source-unit" "angstrom" } "c" { "source-value" 6.97248871 "source-unit" "angstrom" } }