{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.064628 0.75 0.75 ] [ 0.653205 0.346795 0.346795 ] [ 0 0 0.812284 ] [ 0.435372 0.75 0.75 ] [ 0.25 0.75 0.935372 ] [ 0 0 0.187716 ] [ 0.812284 0 0 ] [ 0.25 0.935372 0.75 ] [ 0.25 0.564628 0.75 ] [ 0.846795 0.153205 0.346795 ] [ 0.187716 0 0 ] [ 0.653205 0.153205 0.153205 ] [ 0 0.812284 0 ] [ 0.25 0.75 0.564628 ] [ 0 0.187716 0 ] [ 0.846795 0.346795 0.153205 ] [ 0.064628 0.25 0.25 ] [ 0.653205 0.846795 0.846795 ] [ 0 0.5 0.312284 ] [ 0.435372 0.25 0.25 ] [ 0.25 0.25 0.435372 ] [ 0 0.5 0.687716 ] [ 0.812284 0.5 0.5 ] [ 0.25 0.435372 0.25 ] [ 0.25 0.064628 0.25 ] [ 0.846795 0.653205 0.846795 ] [ 0.187716 0.5 0.5 ] [ 0.653205 0.653205 0.653205 ] [ 0 0.312284 0.5 ] [ 0.25 0.25 0.064628 ] [ 0 0.687716 0.5 ] [ 0.846795 0.846795 0.653205 ] [ 0.564628 0.75 0.25 ] [ 0.153205 0.346795 0.846795 ] [ 0.5 0 0.312284 ] [ 0.935372 0.75 0.25 ] [ 0.75 0.75 0.435372 ] [ 0.5 0 0.687716 ] [ 0.312284 0 0.5 ] [ 0.75 0.935372 0.25 ] [ 0.75 0.564628 0.25 ] [ 0.346795 0.153205 0.846795 ] [ 0.687716 0 0.5 ] [ 0.153205 0.153205 0.653205 ] [ 0.5 0.812284 0.5 ] [ 0.75 0.75 0.064628 ] [ 0.5 0.187716 0.5 ] [ 0.346795 0.346795 0.653205 ] [ 0.564628 0.25 0.75 ] [ 0.153205 0.846795 0.346795 ] [ 0.5 0.5 0.812284 ] [ 0.935372 0.25 0.75 ] [ 0.75 0.25 0.935372 ] [ 0.5 0.5 0.187716 ] [ 0.312284 0.5 0 ] [ 0.75 0.435372 0.75 ] [ 0.75 0.064628 0.75 ] [ 0.346795 0.653205 0.346795 ] [ 0.687716 0.5 0 ] [ 0.153205 0.653205 0.153205 ] [ 0.5 0.312284 0 ] [ 0.75 0.25 0.564628 ] [ 0.5 0.687716 0 ] [ 0.346795 0.846795 0.153205 ] [ 0.420332 0.920332 0.920332 ] [ 0.079668 0.579668 0.920332 ] [ 0.420332 0.579668 0.579668 ] [ 0.079668 0.920332 0.579668 ] [ 0.420332 0.420332 0.420332 ] [ 0.079668 0.079668 0.420332 ] [ 0.420332 0.079668 0.079668 ] [ 0.079668 0.420332 0.079668 ] [ 0.920332 0.920332 0.420332 ] [ 0.579668 0.579668 0.420332 ] [ 0.920332 0.579668 0.079668 ] [ 0.579668 0.920332 0.079668 ] [ 0.920332 0.420332 0.920332 ] [ 0.579668 0.079668 0.920332 ] [ 0.920332 0.079668 0.579668 ] [ 0.579668 0.420332 0.579668 ] [ 0.858175 0.141825 0.141825 ] [ 0.141825 0.858175 0.141825 ] [ 0.858175 0.858175 0.858175 ] [ 0.141825 0.141825 0.858175 ] [ 0.858175 0.641825 0.641825 ] [ 0.141825 0.358175 0.641825 ] [ 0.858175 0.358175 0.358175 ] [ 0.141825 0.641825 0.358175 ] [ 0.358175 0.141825 0.641825 ] [ 0.641825 0.858175 0.641825 ] [ 0.358175 0.858175 0.358175 ] [ 0.641825 0.141825 0.358175 ] [ 0.358175 0.641825 0.141825 ] [ 0.641825 0.358175 0.141825 ] [ 0.358175 0.358175 0.858175 ] [ 0.641825 0.641825 0.858175 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.7125090733 "source-unit" "angstrom" } }