{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.203272 ] [ 0 0.5 0.796728 ] [ 0.5 0 0.703272 ] [ 0.5 0 0.296728 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.740072 0.850074 ] [ 0.5 0.259928 0.149926 ] [ 0.5 0.740072 0.149926 ] [ 0.5 0.259928 0.850074 ] [ 0.5 0 0.5 ] [ 0 0.240072 0.350074 ] [ 0 0.759928 0.649926 ] [ 0 0.240072 0.649926 ] [ 0 0.759928 0.350074 ] ] } "species" { "source-value" [ "Ba" "Ba" "Dy" "Dy" "Dy" "Dy" "Ni" "Ni" "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" 3.79841605945 "source-unit" "angstrom" } "b" { "source-value" 5.81121626737 "source-unit" "angstrom" } "c" { "source-value" 11.4358334649 "source-unit" "angstrom" } }