{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.690995 0.774256 0 ] [ 0.225744 0.690995 0 ] [ 0.774256 0.309005 0 ] [ 0.309005 0.225744 0 ] [ 0.5 0.5 0.766659 ] [ 0.5 0.5 0.233341 ] [ 0.190995 0.274256 0.5 ] [ 0.725744 0.190995 0.5 ] [ 0.274256 0.809005 0.5 ] [ 0.809005 0.725744 0.5 ] [ 0 0 0.266659 ] [ 0 0 0.733341 ] ] } "species" { "source-value" [ "Eu" "Eu" "Ba" "Ba" "Ba" "Ba" "Nb" "Nb" "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" 6.07279642952 "source-unit" "angstrom" } "c" { "source-value" 8.70632610693 "source-unit" "angstrom" } }