{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.478041 0.431694 0.75 ] [ 0.978041 0.068306 0.25 ] [ 0.021959 0.931694 0.75 ] [ 0.521959 0.568306 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.192266 0.195096 0.937558 ] [ 0.692266 0.304904 0.062442 ] [ 0.307734 0.695096 0.562442 ] [ 0.807734 0.804904 0.437558 ] [ 0.807734 0.804904 0.062442 ] [ 0.307734 0.695096 0.937558 ] [ 0.692266 0.304904 0.437558 ] [ 0.192266 0.195096 0.562442 ] [ 0.122058 0.454477 0.25 ] [ 0.622058 0.045523 0.75 ] [ 0.377942 0.954477 0.25 ] [ 0.877942 0.545523 0.75 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Al" "Al" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.97364037 "source-unit" "angstrom" } "b" { "source-value" 5.26420252 "source-unit" "angstrom" } "c" { "source-value" 7.29769513 "source-unit" "angstrom" } }