{ "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 0.796526 ] [ 0 0.5 0.203474 ] [ 0.5 0 0.296526 ] [ 0.5 0 0.703474 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.742369 0.850925 ] [ 0.5 0.257631 0.149075 ] [ 0.5 0.742369 0.149075 ] [ 0.5 0.257631 0.850925 ] [ 0 0.5 0 ] [ 0 0.242369 0.350925 ] [ 0 0.757631 0.649075 ] [ 0 0.242369 0.649075 ] [ 0 0.757631 0.350925 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Gd" "Gd" "Gd" "Gd" "Co" "Co" "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" 3.81015000608 "source-unit" "angstrom" } "b" { "source-value" 5.8997370461 "source-unit" "angstrom" } "c" { "source-value" 11.6959180019 "source-unit" "angstrom" } }