{ "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 0.796694 ] [ 0 0.5 0.203306 ] [ 0.5 0 0.296694 ] [ 0.5 0 0.703306 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.741701 0.852267 ] [ 0.5 0.258299 0.147733 ] [ 0.5 0.741701 0.147733 ] [ 0.5 0.258299 0.852267 ] [ 0.5 0 0.5 ] [ 0 0.241701 0.352267 ] [ 0 0.758299 0.647733 ] [ 0 0.241701 0.647733 ] [ 0 0.758299 0.352267 ] ] } "species" { "source-value" [ "Ba" "Ba" "Gd" "Gd" "Gd" "Gd" "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" 3.82729672866 "source-unit" "angstrom" } "b" { "source-value" 5.86943388508 "source-unit" "angstrom" } "c" { "source-value" 11.5652248203 "source-unit" "angstrom" } }