{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.289642 0.289642 0.710358 ] [ 0.289642 0.710358 0.289642 ] [ 0.710358 0.289642 0.289642 ] [ 0.710358 0.710358 0.710358 ] [ 0.786297 0.786297 0.213703 ] [ 0.786297 0.213703 0.786297 ] [ 0.213703 0.786297 0.786297 ] [ 0.213703 0.213703 0.213703 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.239401 ] [ 0.5 0.760599 0 ] [ 0.760599 0 0.5 ] [ 0 0.760599 0.5 ] [ 0.5 0 0.239401 ] [ 0.760599 0.5 0 ] [ 0 0.5 0.760599 ] [ 0.5 0.239401 0 ] [ 0 0.239401 0.5 ] [ 0.5 0 0.760599 ] [ 0.239401 0 0.5 ] [ 0.239401 0.5 0 ] [ 0 0 0.261305 ] [ 0 0.738695 0 ] [ 0.738695 0 0 ] [ 0 0 0.738695 ] [ 0 0.261305 0 ] [ 0.261305 0 0 ] [ 0.625774 0.625774 0.374226 ] [ 0.625774 0.374226 0.625774 ] [ 0.374226 0.625774 0.625774 ] [ 0.374226 0.374226 0.374226 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60888553 "source-unit" "angstrom" } }