{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.071403 0.12851 0.145592 ] [ 0.571403 0.37149 0.854408 ] [ 0.428597 0.62851 0.354408 ] [ 0.928597 0.87149 0.645592 ] [ 0.928597 0.87149 0.854408 ] [ 0.428597 0.62851 0.145592 ] [ 0.571403 0.37149 0.645592 ] [ 0.071403 0.12851 0.354408 ] [ 0.246193 0.026642 0.056242 ] [ 0.746193 0.473358 0.943758 ] [ 0.253807 0.526642 0.443758 ] [ 0.753807 0.973358 0.556242 ] [ 0.753807 0.973358 0.943758 ] [ 0.253807 0.526642 0.056242 ] [ 0.746193 0.473358 0.556242 ] [ 0.246193 0.026642 0.443758 ] [ 0.367466 0.256969 0.350018 ] [ 0.867466 0.243031 0.649982 ] [ 0.132534 0.756969 0.149982 ] [ 0.632534 0.743031 0.850018 ] [ 0.632534 0.743031 0.649982 ] [ 0.132534 0.756969 0.350018 ] [ 0.867466 0.243031 0.850018 ] [ 0.367466 0.256969 0.149982 ] [ 0.90015 0.230358 0.25 ] [ 0.40015 0.269642 0.75 ] [ 0.59985 0.730358 0.25 ] [ 0.09985 0.769642 0.75 ] [ 0.234835 0.023119 0.25 ] [ 0.734835 0.476881 0.75 ] [ 0.265165 0.523119 0.25 ] [ 0.765165 0.976881 0.75 ] [ 0.77429 0.00053 0.354114 ] [ 0.27429 0.49947 0.645886 ] [ 0.72571 0.50053 0.145886 ] [ 0.22571 0.99947 0.854114 ] [ 0.22571 0.99947 0.645886 ] [ 0.72571 0.50053 0.354114 ] [ 0.27429 0.49947 0.854114 ] [ 0.77429 0.00053 0.145886 ] [ 0.906574 0.236368 0.442942 ] [ 0.406574 0.263632 0.557058 ] [ 0.593426 0.736368 0.057058 ] [ 0.093426 0.763632 0.942942 ] [ 0.093426 0.763632 0.557058 ] [ 0.593426 0.736368 0.442942 ] [ 0.406574 0.263632 0.942942 ] [ 0.906574 0.236368 0.057058 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02493917 "source-unit" "angstrom" } "b" { "source-value" 9.71638292 "source-unit" "angstrom" } "c" { "source-value" 15.39060752 "source-unit" "angstrom" } }