From 7ea769ee2bf0439fc52b534f6ee6a991c9c22f4a Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Fri, 22 Apr 2022 11:43:01 +0200 Subject: [PATCH] more figures for F2 --- Data/scan_f2_cc-pvdz_kappa1evgw.dat | 58 +- Notebooks/GW_conundrum.nb | 6019 ++++++++++++++++++++++++++- 2 files changed, 6023 insertions(+), 54 deletions(-) diff --git a/Data/scan_f2_cc-pvdz_kappa1evgw.dat b/Data/scan_f2_cc-pvdz_kappa1evgw.dat index 02a1ca1..9042e3e 100644 --- a/Data/scan_f2_cc-pvdz_kappa1evgw.dat +++ b/Data/scan_f2_cc-pvdz_kappa1evgw.dat @@ -1,29 +1,29 @@ -1.000 -198.8175885518 -1.025 -198.8673116122 -1.050 -198.9094440315 -1.075 -198.9450695454 -1.100 -198.9751054951 -1.125 -199.0003395615 -1.150 -199.0214409619 -1.175 -199.0389809343 -1.200 -199.0534491275 -1.225 -199.0652648598 -1.250 -199.0747956667 -1.275 -199.0823548538 -1.300 -199.0882168456 -1.325 -199.0926209535 -1.350 -199.0957759905 -1.375 -199.0978640052 -1.400 -199.0990434429 -1.425 -199.0994519275 -1.450 -199.0992088127 -1.475 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TagBox[ + GridBox[{{ + TagBox[ + GridBox[{{ + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0.5, 0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0.5, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #2}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #3}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #4}}, + GridBoxAlignment -> { + "Columns" -> {Center, Left}, "Rows" -> {{Baseline}}}, + AutoDelete -> False, + GridBoxDividers -> { + "Columns" -> {{False}}, "Rows" -> {{False}}}, + GridBoxItemSize -> {"Columns" -> {{All}}, "Rows" -> {{All}}}, + GridBoxSpacings -> { + "Columns" -> {{0.5}}, "Rows" -> {{0.8}}}], "Grid"]}}, + GridBoxAlignment -> {"Columns" -> {{Left}}, "Rows" -> {{Top}}}, + AutoDelete -> False, + GridBoxItemSize -> { + "Columns" -> {{Automatic}}, "Rows" -> {{Automatic}}}, + GridBoxSpacings -> {"Columns" -> {{1}}, "Rows" -> {{0}}}], + "Grid"], Alignment -> Left, AppearanceElements -> None, + ImageMargins -> {{5, 5}, {5, 5}}, ImageSizeAction -> + "ResizeToFit"], LineIndent -> 0, StripOnInput -> False], { + FontFamily -> "Times"}, Background -> Automatic, StripOnInput -> + False], TraditionalForm]& ), + Editable->True, + InterpretationFunction:>(RowBox[{"PointLegend", "[", + RowBox[{ + RowBox[{"{", + RowBox[{ + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0.5, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> + RGBColor[0.6666666666666666, 0.33333333333333337`, 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0.5`", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0.5, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0.5, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0.6666666666666666, 0., 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[0, 0, 1], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0., 0., 0.6666666666666666], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"0", ",", "0", ",", "1"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[0, 0, 1]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[0, 0, 1], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + GrayLevel[0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> GrayLevel[0.], FrameTicks -> None, + PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"GrayLevel", "[", "0", "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + GrayLevel[0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["GrayLevelColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + GrayLevel[0], Editable -> False, Selectable -> False]}], + "]"}]}], "}"}], ",", + RowBox[{"{", + RowBox[{#, ",", #2, ",", #3, ",", #4, ",", #5}], "}"}], ",", + RowBox[{"LegendMarkers", "\[Rule]", + RowBox[{"{", + RowBox[{ + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}]}], "}"}]}], ",", + RowBox[{"Joined", "\[Rule]", + RowBox[{"{", + RowBox[{"True", ",", "True", ",", "True", ",", "True"}], + "}"}]}], ",", + RowBox[{"LabelStyle", "\[Rule]", + RowBox[{"{", + RowBox[{"FontFamily", "\[Rule]", "\"Times\""}], "}"}]}], ",", + RowBox[{"LegendLayout", "\[Rule]", "\"Column\""}]}], "]"}]& )], + Scaled[{0.99, 0.99}], ImageScaled[{1, 1}], + BaseStyle->{FontSize -> Larger}, + FormatType->StandardForm]}, + AspectRatio->1, + Axes->{False, False}, + AxesLabel->{None, None}, + AxesOrigin->{1.1, -199.}, + BaseStyle->18, + DisplayFunction->Identity, + Frame->{{True, True}, {True, True}}, + FrameLabel->{{ + FormBox[ + StyleBox[ + "\"\\!\\(\\*StyleBox[\\\"E\\\",FontSlant->\\\"Italic\\\"]\\)(F-F) \ +(hartree)\"", FontSize -> 20, StripOnInput -> False], TraditionalForm], + None}, { + FormBox[ + StyleBox[ + "\"\\!\\(\\*SubscriptBox[\\(R\\), \\(F - F\\)]\\) (\[Angstrom])\"", + FontSize -> 20, StripOnInput -> False], TraditionalForm], None}}, + FrameStyle->Automatic, + FrameTicks->{{Automatic, Automatic}, {Automatic, Automatic}}, + GridLines->{Automatic, Automatic}, + GridLinesStyle->Directive[ + GrayLevel[0.5, 0.4]], + ImageSize->500, + LabelStyle->{FontFamily -> "Times"}, + Method->{ + "OptimizePlotMarkers" -> True, "OptimizePlotMarkers" -> True, + "CoordinatesToolOptions" -> {"DisplayFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& ), "CopiedValueFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& )}}, + PlotRange->{{1.1, 1.65}, {-199, -199.125}}, + PlotRangeClipping->True, + 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+\\(0\\)]\\)\\!\\(\\*SubscriptBox[\\(W\\), \\(0\\)]\\)@HF (\[Kappa]=1 au)\"", + FontSize -> 20, StripOnInput -> False], + StyleBox[ + "\"BSE@evGW@HF (\[Kappa]=1 au)\"", FontSize -> 20, StripOnInput -> + False]}, + "PointLegend", + DisplayFunction->(FormBox[ + StyleBox[ + StyleBox[ + PaneBox[ + TagBox[ + GridBox[{{ + TagBox[ + GridBox[{{ + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0.5, 0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0.5, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #2}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #3}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #4}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0.5]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0.5]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #5}}, + GridBoxAlignment -> { + "Columns" -> {Center, Left}, "Rows" -> {{Baseline}}}, + AutoDelete -> False, + GridBoxDividers -> { + "Columns" -> {{False}}, "Rows" -> {{False}}}, + GridBoxItemSize -> {"Columns" -> {{All}}, "Rows" -> {{All}}}, + GridBoxSpacings -> { + "Columns" -> {{0.5}}, "Rows" -> {{0.8}}}], "Grid"]}}, + GridBoxAlignment -> {"Columns" -> {{Left}}, "Rows" -> {{Top}}}, + AutoDelete -> False, + GridBoxItemSize -> { + "Columns" -> {{Automatic}}, "Rows" -> {{Automatic}}}, + GridBoxSpacings -> {"Columns" -> {{1}}, "Rows" -> {{0}}}], + "Grid"], Alignment -> Left, AppearanceElements -> None, + ImageMargins -> {{5, 5}, {5, 5}}, ImageSizeAction -> + "ResizeToFit"], LineIndent -> 0, StripOnInput -> False], { + FontFamily -> "Times"}, Background -> Automatic, StripOnInput -> + False], TraditionalForm]& ), + Editable->True, + InterpretationFunction:>(RowBox[{"PointLegend", "[", + RowBox[{ + RowBox[{"{", + RowBox[{ + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0.5, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> + RGBColor[0.6666666666666666, 0.33333333333333337`, 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0.5`", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0.5, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0.5, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0.6666666666666666, 0., 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[0, 0, 1], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0., 0., 0.6666666666666666], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"0", ",", "0", ",", "1"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[0, 0, 1]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[0, 0, 1], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + GrayLevel[0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> GrayLevel[0.], FrameTicks -> None, + PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"GrayLevel", "[", "0", "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + GrayLevel[0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["GrayLevelColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + GrayLevel[0], Editable -> False, Selectable -> False]}], + "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + GrayLevel[0.5], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> GrayLevel[0.33333333333333337`], FrameTicks -> + None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"GrayLevel", "[", "0.5`", "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + GrayLevel[0.5]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["GrayLevelColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + GrayLevel[0.5], Editable -> False, Selectable -> False]}], + "]"}]}], "}"}], ",", + RowBox[{"{", + RowBox[{#, ",", #2, ",", #3, ",", #4, ",", #5}], "}"}], ",", + RowBox[{"LegendMarkers", "\[Rule]", + RowBox[{"{", + RowBox[{ + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}]}], "}"}]}], ",", + RowBox[{"Joined", "\[Rule]", + RowBox[{"{", + + RowBox[{ + "True", ",", "True", ",", "True", ",", "True", ",", "True"}], + "}"}]}], ",", + RowBox[{"LabelStyle", "\[Rule]", + RowBox[{"{", + RowBox[{"FontFamily", "\[Rule]", "\"Times\""}], "}"}]}], ",", + RowBox[{"LegendLayout", "\[Rule]", "\"Column\""}]}], "]"}]& )], + Scaled[{0.99, 0.99}], ImageScaled[{1, 1}], + BaseStyle->{FontSize -> Larger}, + FormatType->StandardForm]}, + AspectRatio->1, + Axes->{False, False}, + AxesLabel->{None, None}, + AxesOrigin->{1.1, -199.}, + BaseStyle->18, + DisplayFunction->Identity, + Frame->{{True, True}, {True, True}}, + FrameLabel->{{ + FormBox[ + StyleBox[ + "\"\\!\\(\\*StyleBox[\\\"E\\\",FontSlant->\\\"Italic\\\"]\\)(F-F) \ +(hartree)\"", FontSize -> 20, StripOnInput -> False], TraditionalForm], + None}, { + FormBox[ + StyleBox[ + "\"\\!\\(\\*SubscriptBox[\\(R\\), \\(F - F\\)]\\) (\[Angstrom])\"", + FontSize -> 20, StripOnInput -> False], TraditionalForm], None}}, + FrameStyle->Automatic, + FrameTicks->{{Automatic, Automatic}, {Automatic, Automatic}}, + GridLines->{Automatic, Automatic}, + GridLinesStyle->Directive[ + GrayLevel[0.5, 0.4]], + ImageSize->500, + LabelStyle->{FontFamily -> "Times"}, + Method->{ + "OptimizePlotMarkers" -> True, "OptimizePlotMarkers" -> True, + "CoordinatesToolOptions" -> {"DisplayFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& ), "CopiedValueFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& )}}, + PlotRange->{{1.1, 1.65}, {-199, -199.125}}, + PlotRangeClipping->True, + PlotRangePadding->{{0, 0}, {0, 0}}, + Ticks->{Automatic, Automatic}], + InterpretTemplate[Legended[ + Graphics[{{}, {{{}, {}, { + Hue[0.67, 0.6, 0.6], + Directive[ + PointSize[0.009166666666666668], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.01], + RGBColor[1, 0.5, 0]], + Line[CompressedData[" +1:eJwl13k4VV3bAHA8qBCNSGYKJcmc6SYJCQ2GIkMlZI5MTUiiUk+IiKQokamI 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EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0.5, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[1, 0, 0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #2}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + RGBColor[0, 0, 1]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #3}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #4}, { + GraphicsBox[{{ + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0.5]], { + LineBox[{{0, 10}, {20, 10}}]}}, { + Directive[ + EdgeForm[ + Directive[ + Opacity[0.3], + GrayLevel[0]]], + PointSize[0.5], + CapForm["Butt"], + AbsoluteThickness[1.6], + Thickness[0.18], + GrayLevel[0.5]], {}}}, AspectRatio -> Full, + ImageSize -> {20, 10}, PlotRangePadding -> None, + ImagePadding -> Automatic, + BaselinePosition -> (Scaled[0.1] -> Baseline)], #5}}, + GridBoxAlignment -> { + "Columns" -> {Center, Left}, "Rows" -> {{Baseline}}}, + AutoDelete -> False, + GridBoxDividers -> { + "Columns" -> {{False}}, "Rows" -> {{False}}}, + GridBoxItemSize -> {"Columns" -> {{All}}, "Rows" -> {{All}}}, + GridBoxSpacings -> { + "Columns" -> {{0.5}}, "Rows" -> {{0.8}}}], "Grid"]}}, + GridBoxAlignment -> {"Columns" -> {{Left}}, "Rows" -> {{Top}}}, + AutoDelete -> False, + GridBoxItemSize -> { + "Columns" -> {{Automatic}}, "Rows" -> {{Automatic}}}, + GridBoxSpacings -> {"Columns" -> {{1}}, "Rows" -> {{0}}}], + "Grid"], Alignment -> Left, AppearanceElements -> None, + ImageMargins -> {{5, 5}, {5, 5}}, ImageSizeAction -> + "ResizeToFit"], LineIndent -> 0, StripOnInput -> False], { + FontFamily -> "Times"}, Background -> Automatic, StripOnInput -> + False], TraditionalForm]& ), + Editable->True, + InterpretationFunction:>(RowBox[{"PointLegend", "[", + RowBox[{ + RowBox[{"{", + RowBox[{ + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0.5, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> + RGBColor[0.6666666666666666, 0.33333333333333337`, 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0.5`", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0.5, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0.5, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[1, 0, 0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0.6666666666666666, 0., 0.], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"1", ",", "0", ",", "0"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[1, 0, 0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[1, 0, 0], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + RGBColor[0, 0, 1], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> RGBColor[0., 0., 0.6666666666666666], + FrameTicks -> None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"RGBColor", "[", + RowBox[{"0", ",", "0", ",", "1"}], "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + RGBColor[0, 0, 1]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["RGBColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + RGBColor[0, 0, 1], Editable -> False, Selectable -> + False]}], "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + GrayLevel[0], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> GrayLevel[0.], FrameTicks -> None, + PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"GrayLevel", "[", "0", "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + GrayLevel[0]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["GrayLevelColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + GrayLevel[0], Editable -> False, Selectable -> False]}], + "]"}], ",", + RowBox[{"Directive", "[", + RowBox[{ + RowBox[{"PointSize", "[", "0.009166666666666668`", "]"}], + ",", + RowBox[{"CapForm", "[", "\"Butt\"", "]"}], ",", + RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",", + RowBox[{"Thickness", "[", "0.01`", "]"}], ",", + InterpretationBox[ + ButtonBox[ + TooltipBox[ + GraphicsBox[{{ + GrayLevel[0], + RectangleBox[{0, 0}]}, { + GrayLevel[0], + RectangleBox[{1, -1}]}, { + GrayLevel[0.5], + RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle -> + "ColorSwatchGraphics", AspectRatio -> 1, Frame -> True, + FrameStyle -> GrayLevel[0.33333333333333337`], FrameTicks -> + None, PlotRangePadding -> None, ImageSize -> + Dynamic[{ + Automatic, 1.35 CurrentValue["FontCapHeight"]/ + AbsoluteCurrentValue[Magnification]}]], + StyleBox[ + RowBox[{"GrayLevel", "[", "0.5`", "]"}], NumberMarks -> + False]], Appearance -> None, BaseStyle -> {}, + BaselinePosition -> Baseline, DefaultBaseStyle -> {}, + ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]}, + If[ + Not[ + AbsoluteCurrentValue["Deployed"]], + SelectionMove[Typeset`box$, All, Expression]; + FrontEnd`Private`$ColorSelectorInitialAlpha = 1; + FrontEnd`Private`$ColorSelectorInitialColor = + GrayLevel[0.5]; + FrontEnd`Private`$ColorSelectorUseMakeBoxes = True; + MathLink`CallFrontEnd[ + FrontEnd`AttachCell[Typeset`box$, + FrontEndResource["GrayLevelColorValueSelector"], { + 0, {Left, Bottom}}, {Left, Top}, + "ClosingActions" -> { + "SelectionDeparture", "ParentChanged", + "EvaluatorQuit"}]]]], BaseStyle -> Inherited, Evaluator -> + Automatic, Method -> "Preemptive"], + GrayLevel[0.5], Editable -> False, Selectable -> False]}], + "]"}]}], "}"}], ",", + RowBox[{"{", + RowBox[{#, ",", #2, ",", #3, ",", #4, ",", #5}], "}"}], ",", + RowBox[{"LegendMarkers", "\[Rule]", + RowBox[{"{", + RowBox[{ + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}], ",", + RowBox[{"{", + RowBox[{"False", ",", "Automatic"}], "}"}]}], "}"}]}], ",", + RowBox[{"Joined", "\[Rule]", + RowBox[{"{", + + RowBox[{ + "True", ",", "True", ",", "True", ",", "True", ",", "True"}], + "}"}]}], ",", + RowBox[{"LabelStyle", "\[Rule]", + RowBox[{"{", + RowBox[{"FontFamily", "\[Rule]", "\"Times\""}], "}"}]}], ",", + RowBox[{"LegendLayout", "\[Rule]", "\"Column\""}]}], "]"}]& )], + Scaled[{0.99, 0.99}], ImageScaled[{1, 1}], + BaseStyle->{FontSize -> Larger}, + FormatType->StandardForm]}, + AspectRatio->1, + Axes->{False, False}, + AxesLabel->{None, None}, + AxesOrigin->{1.1, -199.}, + BaseStyle->18, + DisplayFunction->Identity, + Frame->{{True, True}, {True, True}}, + FrameLabel->{{ + FormBox[ + StyleBox[ + "\"\\!\\(\\*StyleBox[\\\"E\\\",FontSlant->\\\"Italic\\\"]\\)(F-F) \ +(hartree)\"", FontSize -> 20, StripOnInput -> False], TraditionalForm], + None}, { + FormBox[ + StyleBox[ + "\"\\!\\(\\*SubscriptBox[\\(R\\), \\(F - F\\)]\\) (\[Angstrom])\"", + FontSize -> 20, StripOnInput -> False], TraditionalForm], None}}, + FrameStyle->Automatic, + FrameTicks->{{Automatic, Automatic}, {Automatic, Automatic}}, + GridLines->{Automatic, Automatic}, + GridLinesStyle->Directive[ + GrayLevel[0.5, 0.4]], + ImageSize->500, + LabelStyle->{FontFamily -> "Times"}, + Method->{ + "OptimizePlotMarkers" -> True, "OptimizePlotMarkers" -> True, + "CoordinatesToolOptions" -> {"DisplayFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& ), "CopiedValueFunction" -> ({ + Identity[ + Part[#, 1]], + Identity[ + Part[#, 2]]}& )}}, + PlotRange->{{1.1, 1.65}, {-199, 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