From 0122bb377beea4dc40c405b61f9032501df68f81 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Sun, 4 Feb 2018 22:20:49 +0100
Subject: [PATCH] Updating hands-on-tutorial with working version of emre

---
 hands-on/hands-on-tutorial.bkr | 6255 ++++++--------------------------
 1 file changed, 1201 insertions(+), 5054 deletions(-)

diff --git a/hands-on/hands-on-tutorial.bkr b/hands-on/hands-on-tutorial.bkr
index 13dee9a..45116d1 100644
--- a/hands-on/hands-on-tutorial.bkr
+++ b/hands-on/hands-on-tutorial.bkr
@@ -39,79 +39,184 @@
                     "mode": "stex"
                 }
             }
-        },
-        {
-            "name": "Python3",
-            "plugin": "Python3",
-            "setup": "%matplotlib inline\nimport numpy\nimport matplotlib\nfrom matplotlib import pylab, mlab, pyplot\nnp = numpy\nplt = pyplot\nfrom IPython.display import display\nfrom IPython.core.pylabtools import figsize, getfigs\nfrom pylab import *\nfrom numpy import *\n",
-            "view": {
-                "cm": {
-                    "mode": "python"
-                }
-            }
         }
     ],
     "cells": [
         {
-            "id": "codeX2m0TW",
-            "type": "code",
-            "evaluator": "HTML",
-            "input": {
-                "body": [
-                    "<font size=\"+2\" face=\"Impact\">1. Get the data from the NOMAD repository</font>  <br> <br>",
-                    "<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">",
-                    "<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:100px;font:18px/26px cursive;border:17px double green;\">",
-                    "See that the data from the repository can be accessed easily with simple python scripts.",
-                    "</textarea><br>",
-                    "</form>",
-                    "",
-                    ""
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<font size=\"+2\" face=\"Impact\">1. Get the data from the NOMAD repository</font>  <br> <br>\n<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">\n<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:100px;font:18px/26px cursive;border:17px double green;\">See that the data from the repository can be accessed easily with simple python scripts.\n</textarea><br>\n</form>\n\n"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 189
-            },
-            "evaluatorReader": true,
-            "lineCount": 8
+            "id": "markdowndtwMRP",
+            "type": "markdown",
+            "body": [
+                "<style type=\"text/css\">",
+                "/*!",
+                " * Nomad Beaker Notebook Template",
+                " *",
+                " * @copyright  Copyright 2017 Fritz Haber Institute of the Max Planck Society,",
+                " *             Benjamin Regler - Apache 2.0 License",
+                " * @license    http://www.apache.org/licenses/LICENSE-2.0",
+                " * @author     Benjamin Regler",
+                " * @version    1.0.0",
+                " *",
+                " * Licensed under the Apache License, Version 2.0 (the \"License\");",
+                " * you may not use this file except in compliance with the License.",
+                " * You may obtain a copy of the License at",
+                " * ",
+                " *     http://www.apache.org/licenses/LICENSE-2.0",
+                " *",
+                " * Unless required by applicable law or agreed to in writing, software",
+                " * distributed under the License is distributed on an \"AS IS\" BASIS,",
+                " * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.",
+                " * See the License for the specific language governing permissions and",
+                " * limitations under the License.",
+                " */",
+                "p{margin-bottom:1.3em}h1,h2,h3,h4{margin:1.414em 0 .5em;font-weight:inherit;line-height:1.2}h1{margin-top:0;font-size:3.998em}h2{font-size:2.827em}h3{font-size:1.999em}h4{font-size:1.414em}.font_small,small{font-size:.707em}notebook-container{font-size:16px}.nomad--header h2{color:#20335d;font-weight:700;margin:0 0 .2em}.nomad--header h3{color:#20335d;font-weight:700;margin-top:0;text-indent:-1em;padding-left:1em}.nomad--header h3:before{content:\"\\2014\";padding-right:.25em}.nomad--header .nomad--description{margin:-1em 0 0 2em}.atomic-data--block,.nomad--last-updated{display:inline-block;margin-top:1em}.nomad--last-updated{color:grey;float:right;position:relative;z-index:1}.nomad--last-updated::before{bottom:-75%;content:attr(data-version);font-size:4em;font-weight:700;opacity:.2;position:absolute;right:0}.atomic-data label{display:block;font-size:medium;font-weight:700}.atomic-data--select,.chosen-container{width:100%!important}.atomic-data--select:disabled{color:#d3d3d3}.atomic-data--reset-buton{display:inline-block;margin-top:1.6em;width:100%}.modal-dialog{max-width:1000px;width:80%}.modal-header h1{font-size:2em;line-height:1.2}.modal-dialog h2{font-size:1.414em}.modal-dialog h2:first-child{margin-top:0}.modal-dialog h3{font-size:1.2em}.modal-dialog dt{font-size:larger;margin-top:1.414em}.modal-dialog img{width:100%}.modal-dialog .authors{text-transform:uppercase}",
+                "summary{list-style:disc; margin: 2px;padding: 10px;border: 0px;border:8px double   green; font-size:16px;padding-left: 32px;padding-right: 22px; width:89%}",
+                "</style>",
+                "",
+                "<div id=\"teaser\" style='background-color: rgba(149,170,79, 1.0); background-position:  right center; background-size: 200px; background-repeat: no-repeat; ",
+                "    padding-top: 20px;",
+                "    padding-right: 10px;",
+                "    padding-bottom: 50px;",
+                "    padding-left: 80px;' > ",
+                "",
+                "  <div class=\"nomad--header\">",
+                "   <div style=\"text-align:center\">",
+                "    <h2> <img id=\"nomad\" src=\"https://nomad-coe.eu/uploads/nomad/images/NOMAD_Logo2.png\" height=\"100\" alt=\"NOMAD Logo\">  NOMAD Analytics Toolkit  <img id=\"nomad\" src=\"https://www.nomad-coe.eu/uploads/nomad/backgrounds/head_big-data_analytics_2.png\" height=\"80\" alt=\"NOMAD Logo\"> </h2>",
+                "  </div>",
+                "    <h3>Hands-on Workshop Density-Functional Theory and Beyond:<br> Compressed sensing for identifying descriptors ",
+                "    </h3>",
+                "    <p class=\"nomad--description\">",
+                "      created by:",
+                " Emre Ahmetcik<sup>1</sup>, ",
+                " Angelo Ziletti<sup> 1</sup>,",
+                " Runhai Ouyang<sup>1</sup>,",
+                " Luca Ghiringhelli<sup>1</sup>,",
+                " and Matthias Scheffler<sup>1</sup> <br><br>",
+                "   ",
+                "      <sup>1</sup> Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany <br>",
+                "      <span class=\"nomad--last-updated\" data-version=\"v1.0.0\">[Last updated: July 23, 2017]</span>",
+                "    </p>",
+                "</div>",
+                "</div>",
+                "",
+                "<div style='text-align: right;'>",
+                "<a href=\"https://analytics-toolkit.nomad-coe.eu/home/\" class=\"btn btn-primary\" style=\"font-size:larger;\">Back to Analytics Home</a> ",
+                "<a href=\"https://www.nomad-coe.eu/\" class=\"btn btn-primary\" style=\"font-size:larger;\">Back to NOMAD CoE Home</a> ",
+                "</div>  ",
+                "",
+                "",
+                "",
+                "<br><br><br>",
+                "This tutorial shows how to find descriptive parameters (short formulas) to predict materials properties using compressed sensing tools. As an example we adress the prediction of the crystal structure stability of 82 octet binary compounds. We provide scripts which access the relevant data from the NOMAD Archive and determine descriptors for both regression models (predicting the rocksalt (RS) vs zincblende (ZB) structure energy difference) and classification (a compound is predicted to be most stable in either RS, ZB, CsCl, NiAs or CrB structure) .",
+                "",
+                "The idea of using compressed sensing tools: Starting from simple physical quantities (\"building blocks\", here properties of the constituent free atoms such as orbital radii), millions (or billions) of candidate formulas are generated by applying arithmetic operations combining building blocks, for example forming sums and products of them. These candidate formulas constitute the so-called \"feature space\". Then a feature selection method is used to select only a few of these formulas that explain the data. In this tutorial we use the methods LASSO+$\\ell_0$ as introduced in ",
+                "<div style=\"padding: 1ex; margin-top: 1ex; margin-bottom: 1ex; border-style: dotted; border-width: 1pt; border-color: blue; border-radius: 3px;\">",
+                "L. M. Ghiringhelli, J. Vybiral, S. V. Levchenko, C. Draxl, M. Scheffler: <span style=\"font-style: italic;\">Big Data of Materials Science: Critical Role of the Descriptor</span>,  Phys. Rev. Lett. 114, 105503 (2015) <a href=\"http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.105503\" target=\"_blank\">[PDF]</a></div>",
+                " and Sure Independence Screening Sparse Operator  (SISSO) as proposed in",
+                "<div style=\"padding: 1ex; margin-top: 1ex; margin-bottom: 1ex; border-style: dotted; border-width: 1pt; border-color: blue; border-radius: 3px;\">",
+                "R. Ouyang, E. Ahmetcik, L. M. Ghiringhelli, and M. Scheffler: <span style=\"font-style: italic;\">Descriptor identification for material properties via compressed sensing</span>, in preparation.",
+                "</div>",
+                ""
+            ],
+            "evaluatorReader": false
         },
         {
-            "id": "codeQIGx6m",
-            "type": "code",
-            "evaluator": "TeX",
-            "input": {
-                "body": [
-                    "\\text{Introduce octet binary systems... } (r_s(\\text{A}), r_p(\\text{A}), r_d(\\text{A}), r_s(\\text{B}), r_s(\\text{B}), r_d(\\text{B})) \\text{. Now get the data from the nomad repository.}"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Latex",
-                    "object": "\\text{Introduce octet binary systems... } (r_s(\\text{A}), r_p(\\text{A}), r_d(\\text{A}), r_s(\\text{B}), r_s(\\text{B}), r_d(\\text{B})) \\text{. Now get the data from the nomad repository.}"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 1817,
-                "height": 57
-            },
-            "evaluatorReader": true,
-            "lineCount": 1
+            "id": "sectionFrtJgy",
+            "type": "section",
+            "title": "Introduction to the compressed sensing methods",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownVA6agA",
+            "type": "markdown",
+            "body": [
+                "The feature space is generated by creating a list of analytical expressions (the derived features), obtained by combining the primary features and arithmetic operations. We put all $m$ derived features into a descriptor matrix $\\mathbf{D} \\in \\mathbb{R}^{82 \\times m}$ where each column stands for a derived feature and each row for a compound. An $\\ell_0$-regularization ",
+                "",
+                "$\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_0\\}$",
+                "",
+                "determines those few feature columns which approximate a property vector $\\mathbf{P} \\in \\mathbb{R}^{82}$ (i.e RS vs. ZB energy differences) best. The subscript 0 stays for the $\\ell_0$-quasinorm, that counts the number of non-zero elements of $\\mathbf{c}$ and $\\lambda > 0$ is called the regularization parameter. Performing the $\\ell_0$-regularization becomes fast computational infeasable and often approximations (i.e. LASSO, LASSO+L0, SIS+L0) are needed since in practice the $\\ell_0$-regularization needs to be solved combinatorial: All singletons, pairs, triplets, ... $n$-tuples (up to the selected maximum dimension of the descriptor) are listed and for each set a least-square regression is performed. The $n$-tuple that gives the lowest mean square error for the least-square regression fit is selected as the resulting $n$-dimensional descriptor."
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "sectionS8rXSG",
+            "type": "section",
+            "title": "The LASSO+$\\ell_0$ method",
+            "level": 2,
+            "evaluatorReader": false,
+            "collapsed": false
+        },
+        {
+            "id": "markdown28rftM",
+            "type": "markdown",
+            "body": [
+                " LASSO+$\\ell_0$  combines the Least Absolute Shrinkage and Selection Operator (LASSO)  and the $\\ell_0$-regularization. In the first step the LASSO minimization",
+                "",
+                "$\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_1\\}$",
+                "",
+                "is performed repetitively by decreasing $\\lambda$ in small steps starting from the largest value that gives one non-zero element in $\\mathbf{c}$,  until a desired number of features (i.e. 30) that have non-zero coefficient in $\\mathbf{c}$ are collected/saved.  Using these collected features  the $\\ell_0$-regularization is performed subsequently.",
+                ""
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "sectionbYEx1l",
+            "type": "section",
+            "title": "The SISSO for regression",
+            "level": 2,
+            "evaluatorReader": false,
+            "collapsed": false
+        },
+        {
+            "id": "markdownyyqzw4",
+            "type": "markdown",
+            "body": [
+                "SISSO works iteratively. In the first iteration, a number $k$ of features is collected that have the largest correlation (scalar product) with $\\mathbf{P}$. The feature with the largest correlation is simply the 1D descriptor. Next, a residual is constructed as the error made at the first iteration. A new set of $k$ features is now selected as those having the largest correlation with the residual. The 2D descriptor is the pair of features that yield the smallest fitting error upon least-square regression, among all possible pairs contained in the union of the sets selected in this and the first iteration. In each next iteration a new residual is constructed as the error made in the previous iteration, then a new set of $k$ features is extracted as those that have largest correlation with each new residual. The $n$D descriptor is the $n$-tuple of features that yield the smallest fitting error upon least square regression, among all possible $n$-tuples contained in the union of the sets obtained in each new iteration and all the previous iterations. If $k=1$ the method collapses to the so-called orthogonal matching pursuit."
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "sectionH1x7Pk",
+            "type": "section",
+            "title": "The SISSO for classification",
+            "level": 2,
+            "evaluatorReader": false,
+            "collapsed": false
+        },
+        {
+            "id": "markdownNO8Ito",
+            "type": "markdown",
+            "body": [
+                "For classification (categorial target),  the SISSO is applied with a different loss function. Given the convex hull of each target class, now,  the number of data points located in overlapping convex hull regions is minimized. "
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "sectionB3Bqbw",
+            "type": "section",
+            "title": "Get the data from the NOMAD Archive",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownOfpScv",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li>See that the data from the repository can be accessed easily with simple python scripts.</li>",
+                "<li>Consider the specific case of 82 octet binary compounds in the RS and ZB structure. Process the data to build the target property $\\mathbf{P} \\in \\mathbb{R}^{82}$ of RS vs ZB energy differences.</li>",
+                "<li>Construct the descriptor matrix $\\mathbf{D} \\in \\mathbb{R}^{82 \\times m}$ using primary features from the NOMAD atomic data collection.</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "markdownocHinB",
             "type": "markdown",
             "body": [
-                "In the following cell we declare the paths to the JSON files of the DFT calculations."
+                "In the following cell we declare the paths to the JSON files of the DFT calculations. The list provides 2 x 82 paths of single point calculations at (close to) the equilibrium of the RS and ZB crystal symmetry."
             ],
             "evaluatorReader": false
         },
@@ -286,27 +391,24 @@
                     "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PUJUPZHk2jrE1KVUS7H13mKBH4oVR.json',",
                     "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/POIYfYCEIron9yzowfHWhVea-VEFW.json',",
                     "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/P_1mfRE8eDZ7zCLQwGT_3n8YC34dE.json'",
-                    "]",
-                    ""
-                ],
-                "hidden": true
+                    "]"
+                ]
             },
             "output": {
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 2129
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD"
             },
             "evaluatorReader": true,
-            "lineCount": 167,
+            "lineCount": 166,
             "tags": "json_list"
         },
         {
             "id": "markdownjLPoKc",
             "type": "markdown",
             "body": [
-                "Now import and use the NOMADStructure function to get the chemical formula, the total energy and the space group from each json file."
+                "Now, import and use the class 'NOMADStructure'  to get the chemical formula, the total energy and the space group from each json file. You can type 'help(NOMADStructure)' to find out, what else can be extracted from a structure."
             ],
             "evaluatorReader": false
         },
@@ -320,35 +422,34 @@
                     "",
                     "nomad_structure_list = [NOMADStructure(in_file=json_path, file_format='NOMAD', take_first='False') for json_path in json_list]",
                     "",
-                    "# Consider first element of nomad_structure_list as example",
-                    "example_structure = nomad_structure_list[0]",
-                    "print example_structure.chemical_symbols[0,0]",
-                    "print example_structure.chemical_formula[0,0]",
-                    "print example_structure.spacegroup_analyzer[0,0].get_space_group_number()",
-                    "print example_structure.energy_total__eV[0,0]"
+                    "# Consider first element of nomad_structure_list as an example",
+                    "first_structure = nomad_structure_list[0]",
+                    "print first_structure.chemical_symbols[0,0]",
+                    "print first_structure.chemical_formula[0,0]",
+                    "print first_structure.spacegroup_analyzer[0,0].get_space_group_number() ",
+                    "print first_structure.energy_total__eV[0,0] # energy per unit cell",
+                    "print first_structure.energy_total__eV[0,0]/ len(first_structure.atoms[0,0]) # energy per atom"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "['Cd', 'Te']\nCdTe\n225\n-341429.178625\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 3185,
-                "height": 105
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 10,
+            "lineCount": 11,
             "tags": "nomad_structure_list"
         },
+        {
+            "id": "markdownI6KjT2",
+            "type": "markdown",
+            "body": [
+                "Find the function 'get_energies'  in the following cell which returns a data frame of  2 x 82 rows containing the chemical formula, the total energy per atom in eV, the space group and the json path."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "codeE3BU1L",
             "type": "code",
@@ -371,44 +472,41 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 535,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "height": 5705
             },
             "evaluatorReader": true,
             "lineCount": 10,
             "tags": "get_energies"
         },
+        {
+            "id": "markdownbEHiV5",
+            "type": "markdown",
+            "body": [
+                "Call 'get_energies' and print the data frame sorted by the chemical formula."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "codeheXP3D",
             "type": "code",
             "evaluator": "IPython",
             "input": {
                 "body": [
-                    "df_energies = get_energies(nomad_structure_list)",
-                    "",
+                    "# set pandas option to display whole data frame",
                     "pd.set_option('display.max_rows', 200)",
                     "pd.set_option('display.expand_frame_repr', False)",
-                    "# print df_energies sorted by chemical_formula",
-                    "print df_energies.sort_values('energy')"
+                    "",
+                    "df_energies = get_energies(nomad_structure_list)",
+                    "print df_energies.sort_values('chemical_formula')"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "    chemical_formula         energy  space_group                                          json_path\n12              BaTe -206204.229045          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n112             BaTe -206203.853659          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n77               CsI -205812.182857          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n118              CsI -205812.020470          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n96               AgI -171339.245107          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n58               AgI -171339.208181          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n162             CdTe -170714.703852          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n0               CdTe -170714.589312          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n152             InSb -170340.181666          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n5               InSb -170340.103606          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n128              Sn2 -170215.367556          227  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n70               Sn2 -170215.350592          221  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n32              BaSe -145716.769672          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n116             BaSe -145716.426227          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n34              BrCs -143254.434337          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n86              BrCs -143254.278470          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n53               IRb -139031.425413          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n102              IRb -139031.258212          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n8               SrTe -137269.487147          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n135             SrTe -137269.107853          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n101              CuI -120801.823383          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n63               CuI -120801.618708          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n114             TeZn -118240.052677          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n46              TeZn -118239.807676          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n56               BaS -117910.270940          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n88               BaS -117909.951178          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n136             GaSb -115902.137374          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n21              GaSb -115901.982749          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n3               ClCs -113870.626210          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n147             ClCs -113870.475864          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n106             GeSn -113787.531950          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n66              GeSn -113787.450287          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n64               BaO -113504.826963          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n94               BaO -113504.733965          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n92              AsIn -111895.921302          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n54              AsIn -111895.787255          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n108             CdSe -110227.144833          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n41              CdSe -110227.061261          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n62               CsF -108950.888849          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n87               CsF -108950.780586          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n27              AgBr -108781.333959          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n91              AgBr -108781.303925          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n81                IK -106403.949897          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n149               IK -106403.782858          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n18              CaTe -102975.696119          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n141             CaTe -102975.345663          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n37               INa -100416.816231          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n83               INa -100416.701393          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n6                ILi  -98315.905042          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n138              ILi  -98315.883382          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n65              MgTe  -96435.238354          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n100             MgTe  -96435.233762          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n115             BeTe  -93916.572772          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n68              BeTe  -93916.104186          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n148             AlSb  -92644.348873          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n11              AlSb  -92644.192004          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n84               BSb  -89684.194551          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n28               BSb  -89683.613701          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n82              SiSn  -89044.630512          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n19              SiSn  -89044.495403          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n150              InP  -85636.591190          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n75               InP  -85636.411997          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n105              CSn  -85621.488947          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n55               CSn  -85621.035409          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n143              CdS  -82420.636035          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n17               CdS  -82420.563362          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n151              InN  -81730.868505          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n52               InN  -81730.714785          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n22              AgCl  -79397.451083          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n109             AgCl  -79397.408285          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n45               CdO  -78015.168309          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n113              CdO  -78015.084148          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n42              SeSr  -76782.088429          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n134             SeSr  -76781.713918          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n2               BrRb  -76473.689393          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n160             BrRb  -76473.525572          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n59               AgF  -74477.428165          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n89               AgF  -74477.274407          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n133             BrCu  -58243.925279          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n67              BrCu  -58243.772836          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n140             SeZn  -57752.583012          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n44              SeZn  -57752.319875          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n98              AsGa  -57457.954236          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n30              AsGa  -57457.679958          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n110              Ge2  -57359.762057          227  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n4                Ge2  -57359.561204          221  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n72               SSr  -48975.635583          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n125              SSr  -48975.267149          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n61              ClRb  -47089.892923          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n157             ClRb  -47089.732419          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n15               OSr  -44570.361722          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n139              OSr  -44570.141416          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n24               BrK  -43846.228186          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n121              BrK  -43846.062010          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n40              CaSe  -42488.352920          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n161             CaSe  -42487.992122          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n73               FRb  -42170.183659          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n144              FRb  -42170.048063          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n29              BrNa  -37859.126083          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n130             BrNa  -37858.999655          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n78              MgSe  -35947.940031          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n111             MgSe  -35947.884729          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n1               BrLi  -35758.254037          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n154             BrLi  -35758.221290          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n132             AlAs  -34200.290775          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n71              AlAs  -34200.077513          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n99              BeSe  -33429.291703          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n14              BeSe  -33428.796762          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n155             GeSi  -32616.957249          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n74              GeSi  -32616.694039          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n103              AsB  -31240.222322          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n51               AsB  -31239.347344          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n126              GaP  -31198.704268          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n23               GaP  -31198.355516          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n120              SZn  -29946.165186          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n16               SZn  -29945.889373          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n153              CGe  -29194.089918          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n69               CGe  -29193.278475          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n97              ClCu  -28860.103219          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n50              ClCu  -28859.946961          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n90               GaN  -27293.397391          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n39               GaN  -27292.963946          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n127              OZn  -25540.911173          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n76               OZn  -25540.809205          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n31               CuF  -23939.960841          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n85               CuF  -23939.943819          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n7                CaS  -14681.946741          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n137              CaS  -14681.577608          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n43               ClK  -14462.444472          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n142              ClK  -14462.280011          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n10               CaO  -10276.901085          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n129              CaO  -10276.635866          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n79                FK   -9542.777877          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n123               FK   -9542.631471          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n35              ClNa   -8475.373434          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n131             ClNa   -8475.240442          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n57               MgS   -8141.593383          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n117              MgS   -8141.506684          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n163              AlP   -7941.081704          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n80               AlP   -7940.862745          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n158              Si2   -7874.176328          227  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n26               Si2   -7873.897162          221  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n49              ClLi   -6374.542821          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n95              ClLi   -6374.504440          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n104              BeS   -5623.021867          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n20               BeS   -5622.515539          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n146               BP   -4981.291645          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n47                BP   -4980.272420          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n124              CSi   -4451.954622          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n13               CSi   -4451.285599          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n159              AlN   -4036.501998          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n60               AlN   -4036.429049          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n48               MgO   -3737.074745          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n93               MgO   -3736.842470          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n33               FNa   -3555.843406          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n145              FNa   -3555.697618          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n25               FLi   -1455.242231          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n156              FLi   -1455.182743          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n107              BeO   -1219.131796          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n9                BeO   -1218.439958          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n119               BN   -1076.745496          216  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n38                BN   -1075.033415          225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n122               C2   -1029.177424          227  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n36                C2   -1026.548820          221  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "A5DDC590EFE0401186F86DBE8F406484",
-                "elapsedTime": 400,
-                "height": 2781
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 6
@@ -417,7 +515,7 @@
             "id": "markdownnT2K2b",
             "type": "markdown",
             "body": [
-                "In the following cell a function to get the property vector P of energy differences is defined using the just introduced function get_energies_from_repository."
+                "In the following cell, a function to construct the property vector $\\mathbf{P}$ of RS vs ZB energy differences is defined using the just introduced function 'get_energies'. The structures are separated by their space groups: 225 and 221 for RS and 216 and 227 for ZB (the second space group of each structure takes account of the elemental solids). Furthermore the json path of the minimum structure (RS or ZB) is returned."
             ],
             "evaluatorReader": false
         },
@@ -433,7 +531,7 @@
                     "    spacegroup_tuples = [(225, 221), (216, 227)] # [(RS), (ZB)]",
                     "    selected_space_groups, spacegroups_to_be_replace = zip(*spacegroup_tuples)",
                     "    ",
-                    "    # replace all 221 by 225 and all 227 by 216",
+                    "    # replace all 221 by 225 and all 227 by 216 to get one RS and one ZB column",
                     "    df['space_group'] = df['space_group'].replace( spacegroups_to_be_replace , selected_space_groups )   ",
                     "",
                     "    # df with json_path of minimum energy per chemical_formula",
@@ -452,8 +550,7 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 561,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "height": 1435
             },
             "evaluatorReader": true,
@@ -472,20 +569,10 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "                  energy_diff                                          json_path\nchemical_formula                                                                \nAgBr                -0.030033  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAgCl                -0.042797  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAgF                 -0.153758  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAgI                  0.036925  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAlAs                 0.213262  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAlN                  0.072949  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAlP                  0.218958  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAlSb                 0.156869  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAsB                  0.874978  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAsGa                 0.274278  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nAsIn                 0.134048  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBN                   1.712080  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBP                   1.019225  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBSb                  0.580849  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBaO                 -0.092999  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBaS                 -0.319762  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBaSe                -0.343445  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBaTe                -0.375387  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBeO                  0.691838  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBeS                  0.506328  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBeSe                 0.494940  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBeTe                 0.468586  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrCs                -0.155867  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrCu                 0.152443  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrK                 -0.166176  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrLi                -0.032746  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrNa                -0.126429  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nBrRb                -0.163821  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nC2                   2.628604  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCGe                  0.811443  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCSi                  0.669024  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCSn                  0.453538  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCaO                 -0.265219  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCaS                 -0.369133  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCaSe                -0.360798  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCaTe                -0.350456  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCdO                 -0.084161  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCdS                  0.072673  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCdSe                 0.083572  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCdTe                 0.114540  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClCs                -0.150346  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClCu                 0.156259  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClK                 -0.164461  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClLi                -0.038381  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClNa                -0.132992  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nClRb                -0.160504  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCsF                 -0.108263  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCsI                 -0.162387  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCuF                 -0.017022  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nCuI                  0.204675  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nFK                  -0.146406  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nFLi                 -0.059488  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nFNa                 -0.145788  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nFRb                 -0.135596  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGaN                  0.433445  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGaP                  0.348752  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGaSb                 0.154625  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGe2                  0.200853  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGeSi                 0.263210  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nGeSn                 0.081663  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nIK                  -0.167039  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nILi                 -0.021661  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nINa                 -0.114838  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nIRb                 -0.167201  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nInN                  0.153720  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nInP                  0.179193  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nInSb                 0.078060  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nMgO                 -0.232275  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nMgS                 -0.086700  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nMgSe                -0.055302  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nMgTe                -0.004591  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nOSr                 -0.220307  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nOZn                  0.101968  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSSr                 -0.368434  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSZn                  0.275813  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSeSr                -0.374511  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSeZn                 0.263137  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSi2                  0.279166  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSiSn                 0.135109  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSn2                  0.016964  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nSrTe                -0.379295  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\nTeZn                 0.245001  /parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4...\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "A5DDC590EFE0401186F86DBE8F406484",
-                "elapsedTime": 432,
-                "height": 1435
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 2
@@ -494,7 +581,7 @@
             "id": "markdownOBfktj",
             "type": "markdown",
             "body": [
-                "Now let's import the desciptors with the following function. The function is rather technical, so you can ignore the definition (but run the cell)."
+                "Now let's consider a function which creates the descriptor matrix $\\mathbf{D}$ . The function is rather technical, so you can ignore the definition (but run the cell)."
             ],
             "evaluatorReader": false
         },
@@ -564,63 +651,21 @@
                 "state": {},
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 3531,
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Redefining 'footHTwoO' (<class 'pint.definitions.UnitDefinition'>)\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve count: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve julianYear: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve waterSixtyF: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve countsPerSecond: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve inchHTwoOSixtyF: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve cps: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve ly: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve lightyear: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "WARNING:pint.util:Could not resolve lightYear: UndefinedUnitError()\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "Using TensorFlow backend.\n"
-                        }
-                    ]
-                },
-                "height": 222
+                "shellId": "769AC1053A474D139637EBFAD311D374",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 54,
             "tags": "get_descriptors"
         },
+        {
+            "id": "markdownS5NEVZ",
+            "type": "markdown",
+            "body": [
+                "Use 'get_descriptors' to obtain the descriptor matrix $\\mathbf{D}$ of the radii at the maximum value of  the s, p, and d valence radial probability density:  $r_s(A), r_s(B), r_p(A), r_p(B), r_d(A), r_d(B)$. If the list of allowed (arithmetic) operations is empty only the six primary features are returned. If strings of arithmetic operations are included (i.e. \"$+$\", \"$-$\", \"$/$\", \"$\\exp$\") also derived features will be added to the matrix."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "codeWjXSr9",
             "type": "code",
@@ -638,6 +683,7 @@
                     "         }",
                     "",
                     "kwargs['selected_feature_list'] = ['atomic_rs_max', 'atomic_rp_max', 'atomic_rd_max']",
+                    "# kwargs['allowed_operations'] = ['+', '-', '|-|', '*', '/' '^2', '^3',  'exp']",
                     "kwargs['allowed_operations'] = []",
                     "df_desc = get_descriptors(**kwargs)",
                     "print df_desc"
@@ -645,37 +691,19 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING: No allowed operations selected.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 6\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "                  r_s(A)  r_p(A)  r_d(A)  r_s(B)  r_p(B)  r_d(B)\nchemical_formula                                                \nSeZn                1.10    1.55    2.25    0.80    0.95    2.18\nInSb                1.13    1.50    3.11    1.00    1.23    2.06\nCuI                 1.20    1.68    2.58    0.90    1.07    1.72\nSZn                 1.10    1.55    2.25    0.74    0.85    2.37\nBN                  0.81    0.83    1.95    0.54    0.51    1.54\nOSr                 1.91    2.55    1.20    0.46    0.43    2.22\nBrRb                2.24    3.20    1.96    0.75    0.88    1.87\nBaTe                2.15    2.63    1.35    0.94    1.14    1.83\nBeSe                1.08    1.21    2.88    0.80    0.95    2.18\nMgS                 1.33    1.90    3.17    0.74    0.85    2.37\nGaN                 0.99    1.33    2.16    0.54    0.51    1.54\nBrNa                1.71    2.60    6.57    0.75    0.88    1.87\nBP                  0.81    0.83    1.95    0.83    0.97    1.77\nClRb                2.24    3.20    1.96    0.68    0.76    1.67\nMgSe                1.33    1.90    3.17    0.80    0.95    2.18\nFK                  2.13    2.44    1.79    0.41    0.37    1.43\nBrLi                1.65    2.00    6.93    0.75    0.88    1.87\nBSb                 0.81    0.83    1.95    1.00    1.23    2.06\nMgTe                1.33    1.90    3.17    0.94    1.14    1.83\nGeSn                1.06    1.34    2.03    0.92    1.16    2.37\nGeSi                0.92    1.16    2.37    0.94    1.13    1.89\nCaTe                1.76    2.32    0.68    0.94    1.14    1.83\nClK                 2.13    2.44    1.79    0.68    0.76    1.67\nBaO                 2.15    2.63    1.35    0.46    0.43    2.22\nBrCs                2.46    3.16    1.97    0.75    0.88    1.87\nCsF                 2.46    3.16    1.97    0.41    0.37    1.43\nBrCu                1.20    1.68    2.58    0.75    0.88    1.87\nCGe                 0.92    1.16    2.37    0.64    0.63    1.63\nILi                 1.65    2.00    6.93    0.90    1.07    1.72\nFLi                 1.65    2.00    6.93    0.41    0.37    1.43\n...                  ...     ...     ...     ...     ...     ...\nBeTe                1.08    1.21    2.88    0.94    1.14    1.83\nCdS                 1.23    1.74    2.60    0.74    0.85    2.37\nCdTe                1.23    1.74    2.60    0.94    1.14    1.83\nTeZn                1.10    1.55    2.25    0.94    1.14    1.83\nGaP                 0.99    1.33    2.16    0.83    0.97    1.77\nCdSe                1.23    1.74    2.60    0.80    0.95    2.18\nINa                 1.71    2.60    6.57    0.90    1.07    1.72\nAlP                 1.09    1.39    1.94    0.83    0.97    1.77\nAgCl                1.32    1.88    2.97    0.68    0.76    1.67\nAsGa                0.99    1.33    2.16    0.85    1.04    2.02\nGe2                 0.92    1.16    2.37    0.92    1.16    2.37\nSeSr                1.91    2.55    1.20    0.80    0.95    2.18\nCSi                 0.94    1.13    1.89    0.64    0.63    1.63\nBeO                 1.08    1.21    2.88    0.46    0.43    2.22\nAgI                 1.32    1.88    2.97    0.90    1.07    1.72\nAsB                 0.81    0.83    1.95    0.85    1.04    2.02\nCaS                 1.76    2.32    0.68    0.74    0.85    2.37\nAgF                 1.32    1.88    2.97    0.41    0.37    1.43\nGaSb                0.99    1.33    2.16    1.00    1.23    2.06\nIK                  2.13    2.44    1.79    0.90    1.07    1.72\nBaS                 2.15    2.63    1.35    0.74    0.85    2.37\nCsI                 2.46    3.16    1.97    0.90    1.07    1.72\nClCs                2.46    3.16    1.97    0.68    0.76    1.67\nCaO                 1.76    2.32    0.68    0.46    0.43    2.22\nClCu                1.20    1.68    2.58    0.68    0.76    1.67\nCSn                 1.06    1.34    2.03    0.64    0.63    1.63\nBeS                 1.08    1.21    2.88    0.74    0.85    2.37\nIRb                 2.24    3.20    1.96    0.90    1.07    1.72\nAlSb                1.09    1.39    1.94    1.00    1.23    2.06\nSrTe                1.91    2.55    1.20    0.94    1.14    1.83\n\n[82 rows x 6 columns]\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 4079,
-                "height": 1152
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 14
+            "lineCount": 15
         },
         {
             "id": "markdownjES4yc",
             "type": "markdown",
             "body": [
-                "Now we put these functions together into a new function which returns the numpy arrays  P and D, and the list of feature names. This function will be often used in the compressed sensing part."
+                "Let's summarize the untill now declared functions to a new function 'get_data' which returns the numpy arrays  $\\mathbf{P}$ and $\\mathbf{D}$, the list of feature name strings, the list of compound strings ( the order matches to the ones of the rows of both $\\mathbf{P}$ and $\\mathbf{D}$) and the list of json paths of the minimum energy structures (also in the right order). We will need this function in the next chapters."
             ],
             "evaluatorReader": false
         },
@@ -712,8 +740,7 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 561,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "height": 89
             },
             "evaluatorReader": true,
@@ -729,66 +756,46 @@
                     "selected_feature_list = ['atomic_rs_max', 'atomic_rp_max', 'atomic_rd_max']",
                     "allowed_operations = []",
                     "P, D, feature_list, compounds_list, json_paths = get_data(selected_feature_list, allowed_operations)",
-                    "print P.shape, D.shape, len(feature_list)"
+                    "print P.shape, D.shape, len(feature_list), len(json_paths)"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING: No allowed operations selected.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 6\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "(82,) (82, 6) 6\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "A5DDC590EFE0401186F86DBE8F406484",
-                "elapsedTime": 4103,
-                "height": 89
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 4
         },
         {
-            "id": "coden0Omsp",
-            "type": "code",
-            "evaluator": "HTML",
-            "input": {
-                "body": [
-                    "<font size=\"+2\" face=\"Impact\">2. Determining low-dimensional descriptors and fits with the L0 method</font> <br> <br>",
-                    "<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">",
-                    "<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:130px;font:18px/26px cursive;border:17px double green;\">",
-                    "Show that non-linear functions of the primary features improve the models significantly. ",
-                    "See at the same time that the L0 methods can rapidly become computational infeasible.",
-                    "</textarea><br>",
-                    "</form>"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<font size=\"+2\" face=\"Impact\">2. Determining low-dimensional descriptors and fits with the L0 method</font> <br> <br>\n<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">\n<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:130px;font:18px/26px cursive;border:17px double green;\">Show that non-linear functions of the primary features improve the models significantly. \nSee at the same time that the L0 methods can rapidly become computational infeasible.\n</textarea><br>\n</form>"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 219
-            },
-            "evaluatorReader": true,
-            "lineCount": 7
+            "id": "sectionCs89Kj",
+            "type": "section",
+            "title": "Determining low-dimensional descriptors with the $\\ell_0$ method",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownUK5ZfK",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li> Perform an $\\ell_0$-regularization to identify the best low dimensional descriptors using the primary features.</li>",
+                "<li> Show that non-linear functions of the primary features improve the models significantly. </li>",
+                "<li> See that the $\\ell_0$-regularization can rapidly become computational infeasible.</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "markdownJaNdzs",
+            "type": "markdown",
+            "body": [
+                "For the case you have skipped a chapter, at the beginning of each chapter a JavaScript cell is provided which runs the relevant cells from chapters before with functions we will need in this chapter."
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "coderkkthv",
@@ -796,6 +803,7 @@
             "evaluator": "JavaScript",
             "input": {
                 "body": [
+                    "// 'Import' relevant functions from chapter before",
                     "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\"];",
                     "var n_functions = functions_list.length",
                     "var i;",
@@ -803,82 +811,31 @@
                     "    beaker.evaluate(functions_list[i]);",
                     "    beaker.print('import '+functions_list[i]);",
                     "}"
-                ],
-                "hidden": true
+                ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "import json_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import nomad_structure_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energies\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energy_diffs\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_descriptors\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_data\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "JavaScript",
-                "elapsedTime": 1219,
-                "height": 176
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 7
+            "lineCount": 8
         },
         {
             "id": "markdownxZfCEL",
             "type": "markdown",
             "body": [
-                "Our target is to find the best low dimensional descriptor for a linear model. The L0 regularization provides exactly what we want. It is defined in the follwing and solved combinatorial:"
+                "Our target is to find the best low dimensional descriptor for a linear model. The L0 regularization",
+                "",
+                "$\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_0\\}$",
+                "",
+                "provides exactly what we want. It is defined in the follwing and solved combinatorial:"
             ],
             "evaluatorReader": false
         },
         {
-            "id": "codea6Noer",
-            "type": "code",
-            "evaluator": "TeX",
-            "input": {
-                "body": [
-                    "\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_0\\}"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Latex",
-                    "object": "\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_0\\}"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 173,
-                "height": 94
-            },
-            "evaluatorReader": true,
-            "lineCount": 1
-        },
-        {
-            "id": "codeVjsseN",
+            "id": "codeVTzLtQ",
             "type": "code",
             "evaluator": "IPython",
             "input": {
@@ -893,9 +850,12 @@
                     "    for permu in combinations(range(n_columns),dimension):",
                     "        D_ls = D[:,permu+(-1,)]",
                     "        coef, SE, __1, __2 = np.linalg.lstsq(D_ls,P)",
-                    "        if len(SE) != 0 and SE[0] < SE_min: ",
-                    "            SE_min = SE[0]",
-                    "            coef_min, permu_min = coef, permu",
+                    "        try:",
+                    "            if SE[0] < SE_min: ",
+                    "                SE_min = SE[0]",
+                    "                coef_min, permu_min = coef, permu",
+                    "        except:",
+                    "            pass",
                     "    RMSE = np.sqrt(SE_min/n_rows)",
                     "    return RMSE, coef_min, permu_min"
                 ]
@@ -904,14 +864,20 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 550,
-                "height": 78
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD"
             },
             "evaluatorReader": true,
-            "lineCount": 15,
+            "lineCount": 18,
             "tags": "L0"
         },
+        {
+            "id": "markdownkIHqDn",
+            "type": "markdown",
+            "body": [
+                "Perform the $\\ell_0$-regularization for different dimensions (numbers of non-zero coefficients in the model) and see the root mean square errors (RMSE) and the selected features."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "code5rtN3R",
             "type": "code",
@@ -922,63 +888,29 @@
                     "allowed_operations = []",
                     "P, D, feature_list, compounds_list, json_paths = get_data(selected_feature_list, allowed_operations)",
                     "",
-                    "print \"RMSE           Best desriptor\"",
+                    "print \"    RMSE           Best desriptor\"",
                     "for dim in range(1,7):",
                     "    RMSE, coefficients, selected_indices = L0(P,D,dim)",
-                    "    print RMSE, [feature_list[i] for i in selected_indices]"
+                    "    print '%sD:' %dim, RMSE, [feature_list[i] for i in selected_indices]"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING: No allowed operations selected.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 6\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "RMSE           Best desriptor\n0.313339450832 [u'r_p(A)']\n0.294937680317 [u'r_p(A)', u'r_d(B)']\n0.280145362177 [u'r_p(A)', u'r_s(B)', u'r_p(B)']\n0.276359768851 [u'r_s(A)', u'r_p(A)', u'r_s(B)', u'r_p(B)']\n0.272705934507 [u'r_s(A)', u'r_p(A)', u'r_s(B)', u'r_p(B)', u'r_d(B)']\n0.272444461743 [u'r_s(A)', u'r_p(A)', u'r_d(A)', u'r_s(B)', u'r_p(B)', u'r_d(B)']\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "EF245204A1724E0F85E0DCD4F951D999",
-                "elapsedTime": 3960,
-                "height": 189
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 8
         },
         {
-            "id": "codegBQKBa",
-            "type": "code",
-            "evaluator": "HTML",
-            "input": {
-                "body": [
-                    "Improvements can be obtained by increasing the feature space using more complex features. How does the performance change? How does the feature space size and the dimension of the descriptors depend on the needed time to solve the L0-problem?"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\nImprovements can be obtained by increasing the feature space using more complex features. How does the performance change? How does the feature space size and the dimension of the descriptors depend on the needed time to solve the L0-problem?"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 55
-            },
-            "evaluatorReader": true,
-            "lineCount": 1
+            "id": "markdown7wwBua",
+            "type": "markdown",
+            "body": [
+                "Improvements can be obtained by increasing the feature space using more complex features (the derived features). Run the following script and plot the results afterwards. How does the accuracy of the models change? How does the feature space size and the dimension of the descriptors depend on the needed time to solve the $\\ell_0$-problem?"
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "codeLJovcN",
@@ -1009,88 +941,10 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING: No allowed operations selected.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 6\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Selected operations:\n ['+', '|-|']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 36\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "features: 6; 1D  RMSE: 0.313339450832  best features: [u'r_p(A)']\nfeatures: 6; 2D  RMSE: 0.294937680317  best features: [u'r_p(A)', u'r_d(B)']\nfeatures: 6; 3D  RMSE: 0.280145362177  best features: [u'r_p(A)', u'r_s(B)', u'r_p(B)']\nfeatures: 36; 1D  RMSE: 0.296667831742  best features: [u'r_p(A)+r_d(B)']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 36; 2D  RMSE: 0.2659214616  best features: [u'r_p(A)+r_d(B)', u'|r_p(A)-r_d(B)|']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 36; 3D  RMSE: 0.209667272082  best features: [u'|r_s(A)-r_p(A)|', u'r_s(A)+r_d(B)', u'r_p(A)+r_d(B)']"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Selected operations:\n ['+', '|-|', 'exp']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 57\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 57; 1D  RMSE: 0.296667831742  best features: [u'r_p(A)+r_d(B)']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 57; 2D  RMSE: 0.227539292083  best features: [u'r_p(A)+r_s(B)', u'exp(r_p(A)+r_s(B))']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 57; 3D  RMSE: 0.200506476708  best features: [u'|r_p(A)-r_s(B)|', u'|r_s(B)-r_p(B)|', u'exp(r_p(A))']"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Selected operations:\n ['+', '|-|', 'exp', '^2']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 99\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 99; 1D  RMSE: 0.296667831742  best features: [u'r_p(A)+r_d(B)']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 99; 2D  RMSE: 0.194137965467  best features: [u'r_p(A)+r_s(B)', u'(r_p(A)+r_s(B))^2']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nfeatures: 99; 3D  RMSE: 0.170545561681  best features: [u'r_p(A)+r_s(B)', u'(r_p(A)+r_s(B))^2', u'exp(r_p(A)+r_s(B))']"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "EF245204A1724E0F85E0DCD4F951D999",
-                "elapsedTime": 40363,
-                "height": 571
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 19
@@ -1117,60 +971,48 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "OutputContainer",
-                    "psubtype": "OutputContainer",
-                    "items": [
-                        "<div class=\"output_subarea output_text\"><pre>&lt;matplotlib.legend.Legend at 0x7f86ac330710&gt;</pre></div>",
-                        "<div class=\"output_subarea output_png\"><img 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B+/XqGDh3KWWedxbRp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\n2gBdzewr4J/AxWY2EdiYpPe7X8EFo6YQNOrJ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-                    ]
-                },
-                "selectedType": "OutputContainer",
+                "selectedType": "Html",
                 "pluginName": "IPython",
-                "shellId": "EF245204A1724E0F85E0DCD4F951D999",
-                "elapsedTime": 663,
-                "height": 641
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 12
         },
         {
-            "id": "codeOzJN51",
+            "id": "markdownJAAraB",
+            "type": "markdown",
+            "body": [
+                "Assume now that we would like to include thousands or millions of (more) complex features to obtain more accurate models..."
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "sectionX7Z2F0",
+            "type": "section",
+            "title": "Approximations to the $\\ell_0$ method",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdowneXLmPW",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li >Perform a LASSO minimization and the LASSO+$\\ell_0$ method.</li>",
+                "<li >Compare the solutions with the ones from the $\\ell_0$ method.</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "codeSGrV0g",
             "type": "code",
-            "evaluator": "HTML",
-            "input": {
-                "body": [
-                    "<font size=\"+2\" face=\"Impact\">3. The L1+L0 method</font> <br> <br>",
-                    "<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">",
-                    "<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">",
-                    "Demonstrate how the LASSO works.",
-                    "See that the LASSO can be a bad approximation to the L0 method.",
-                    "See that the L1-L0 method can be a good approximation.",
-                    "</textarea><br>",
-                    "</form>"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<font size=\"+2\" face=\"Impact\">3. The L1+L0 method</font> <br> <br>\n<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">\n<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">Demonstrate how the LASSO works.\nSee that the LASSO can be a bad approximation to the L0 method.\nSee that the L1-L0 method can be a good approximation.\n</textarea><br>\n</form>"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 249
-            },
-            "evaluatorReader": true,
-            "lineCount": 8
-        },
-        {
-            "id": "codeSGrV0g",
-            "type": "code",
-            "evaluator": "JavaScript",
+            "evaluator": "JavaScript",
             "input": {
                 "body": [
+                    "// 'Import' relevant functions from chapters before",
                     "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\", \"L0\"];",
                     "var n_functions = functions_list.length",
                     "var i;",
@@ -1178,85 +1020,39 @@
                     "    beaker.evaluate(functions_list[i]);",
                     "    beaker.print('import '+functions_list[i]);",
                     "}"
-                ],
-                "hidden": true
+                ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "import json_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import nomad_structure_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energies\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energy_diffs\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_descriptors\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_data\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import L0\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "JavaScript",
-                "elapsedTime": 1332,
-                "height": 155
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 7
+            "lineCount": 8
+        },
+        {
+            "id": "section96VfCa",
+            "type": "section",
+            "title": "The LASSO",
+            "level": 2,
+            "evaluatorReader": false,
+            "collapsed": false
         },
         {
             "id": "markdownHjYp4E",
             "type": "markdown",
             "body": [
                 "",
-                "Use instead approximations to the L0 method, i.e. LASSO: The LASSO is defined in the following:"
+                "One state-of-the art approximation to the $\\ell_0$-method is the LASSO: ",
+                "",
+                "$\\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_1\\}$.",
+                "",
+                "Before performing the LASSO regression we standardize the data to have mean 0 and variance 1, since otherwise the $\\ell_2$-norm of a column would affect bias its contribution to the model. <br>",
+                "Note that we can use the LASSO also only for feature selection. We can use then a least-square model with the selected features afterwards instead of the LASSO model directly."
             ],
             "evaluatorReader": false
         },
-        {
-            "id": "codehLXC3s",
-            "type": "code",
-            "evaluator": "TeX",
-            "input": {
-                "body": [
-                    " \\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_1\\}"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Latex",
-                    "object": " \\text{argmin}_{\\mathbf{c} \\in \\mathbb{R}^{m}} \\{\\|\\mathbf{P} - \\mathbf{D}\\mathbf{c}\\|^2_2 +\\lambda \\|\\mathbf{c}\\|_1\\}"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 180,
-                "height": 57
-            },
-            "evaluatorReader": true,
-            "lineCount": 1
-        },
         {
             "id": "code3B4gWJ",
             "type": "code",
@@ -1266,40 +1062,44 @@
                     "from sklearn.linear_model import Lasso",
                     "import scipy.stats as ss",
                     "",
-                    "def LASSO_fit(lam, P, D, feature_list):",
+                    "def lasso_fit(lam, P, D, feature_list):",
                     "    #LASSO",
                     "    D_standardized = ss.zscore(D)",
                     "    lasso =  Lasso(alpha=lam)",
                     "    lasso.fit(D_standardized, P)",
                     "    coef =  lasso.coef_",
                     "    ",
+                    "    # get strings of selected features",
                     "    selected_indices = coef.nonzero()[0]",
                     "    selected_features = [feature_list[i] for i in selected_indices]",
                     "    ",
-                    "    #get RMSE for least squares fit",
+                    "    # get RMSE of LASSO model",
+                    "    P_predict = lasso.predict(D_standardized)",
+                    "    RMSE_LASSO = np.linalg.norm(P-P_predict) / np.sqrt(82.)",
+                    "       ",
+                    "    #get RMSE for least-square fit",
                     "    D_new = D[:, selected_indices]",
                     "    D_new = np.column_stack((D_new, np.ones(82)))",
-                    "    RMSE = np.sqrt(np.linalg.lstsq(D_new,P)[1][0]/82.)",
-                    "    ",
-                    "    return RMSE, coef, selected_features"
+                    "    RMSE_LS = np.sqrt(np.linalg.lstsq(D_new,P)[1][0]/82.)",
+                    "        ",
+                    "    return RMSE_LASSO, RMSE_LS, coef, selected_features"
                 ]
             },
             "output": {
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "2004E48BC16641468283EE122E3F2C49",
-                "elapsedTime": 569,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "height": 78
             },
             "evaluatorReader": true,
-            "lineCount": 19
+            "lineCount": 24
         },
         {
             "id": "markdown5p8ptN",
             "type": "markdown",
             "body": [
-                "lambda regulates the sparsity. Try different lambda. How good does LASSO approximate the L0-method?"
+                "$\\lambda$ regulates the sparsity of the coefficient vector of the model. Get the data and try different $\\lambda$ by shifting the lever along the range. How good does LASSO (directly or with a least square fit afterwards) approximate the L0-method (when the same feature space is used for both)?"
             ],
             "evaluatorReader": false
         },
@@ -1317,30 +1117,16 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "INFO: Selected operations:\n ['+', '|-|', 'exp', '^2']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 99\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "2004E48BC16641468283EE122E3F2C49",
-                "elapsedTime": 4538,
-                "height": 89
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 4
         },
         {
-            "id": "codeoIognt",
+            "id": "codeQMp7hF",
             "type": "code",
             "evaluator": "HTML",
             "input": {
@@ -1360,17 +1146,18 @@
             },
             "output": {
                 "state": {},
+                "selectedType": "BeakerDisplay",
+                "height": 0,
                 "result": {
                     "type": "BeakerDisplay",
                     "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<input id=\"valBox\" min=\"0.02\" max=\"0.36\" step=\"0.01\" oninput=\"showVal(this.value)\" type=\"range\">\n<output for=\"value\" id=\"output\">lambda: 0.08</output>\n<script>\nfunction showVal(newVal){\n  beaker.lam = newVal;\n  beaker.evaluate(\"lambda_cell\")\n  document.querySelector('#output').value = \"lambda: \"+newVal;;\n}\n</script>"
+                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<input id=\"valBox\" type=\"range\" min=\"0.02\" max=\"0.36\" step=\"0.01\" \n   oninput=\"showVal(this.value)\" >\n<output for=value id=\"output\">lambda: </output>\n<script>\nfunction showVal(newVal){\n  beaker.lam = newVal;\n  beaker.evaluate(\"lambda_cell\")\n  document.querySelector('#output').value = \"lambda: \"+newVal;;\n}\n</script>"
                 },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 82
+                "elapsedTime": 1
             },
             "evaluatorReader": true,
-            "lineCount": 10
+            "lineCount": 10,
+            "initialization": true
         },
         {
             "id": "coded2PoWQ",
@@ -1379,44 +1166,42 @@
             "input": {
                 "body": [
                     "lam = float(beaker.lam)",
-                    "RMSE, coef, selected_features = LASSO_fit(lam, P, D, feature_list)",
+                    "RMSE_LASSO, RMSE_LS, coef, selected_features = lasso_fit(lam, P, D, feature_list)",
                     "plt.bar(range(len(coef)), np.abs(coef))",
                     "plt.xlabel(\"Coefficient index $i$\")",
                     "plt.ylabel(\"$|c_i|$\")",
                     "",
-                    "print \"lambda: %s\\t dimension of descriptor: %s\\t RMSE: %s\" %(lam, len(selected_features), RMSE)",
-                    "print pd.DataFrame({'features':np.array(selected_features), 'abs(coef)': np.abs(coef[coef.nonzero()])})",
+                    "print \"lambda: %.3f\\t dimension of descriptor: %s\\t RMSE_LASSO: %.3f\\t RMSE_LS: %.3f\" %(lam, len(selected_features), RMSE_LASSO, RMSE_LS)",
+                    "print pd.DataFrame({'features':np.array(selected_features), 'abs(nonzero_coef_LASSO)': np.abs(coef[coef.nonzero()])})",
                     "    "
-                ]
+                ],
+                "hidden": true
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "lambda: 0.08\t dimension of descriptor: 4\t RMSE: 0.25117099834\n   abs(coef)         features\n0   0.024611  |r_s(A)-r_p(A)|\n1   0.085796    r_p(A)+r_p(B)\n2   0.168681    r_p(A)+r_d(B)\n3   0.039066  |r_p(A)-r_d(B)|\n"
-                        }
-                    ],
-                    "payload": "<div class=\"output_subarea output_png\"><img 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3vbsrGq7NnqM7HgA9w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\nJLVmmEiSWvv/0WcT5IT/G+MAAAAASUVORK5CYII=\n\"></div>"
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "2004E48BC16641468283EE122E3F2C49",
-                "elapsedTime": 1101,
-                "height": 412,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0,
                 "dataresult": "\n1D  RMSE: 0.296667854538  best features: [u'r_p(A)+r_d(B)']\n\n\n2D  RMSE: 0.194137980385  best features: [u'r_p(A)+r_s(B)', u'(r_p(A)+r_s(B))^2']\n\n3D  RMSE: 0.170545574785  best features: [u'r_p(A)+r_s(B)', u'(r_p(A)+r_s(B))^2', u'exp(r_p(A)+r_s(B))']\n"
             },
             "evaluatorReader": true,
             "lineCount": 9,
             "tags": "lambda_cell"
         },
+        {
+            "id": "section0K9XU9",
+            "type": "section",
+            "title": "The LASSO+$\\ell_0$-method",
+            "level": 2,
+            "evaluatorReader": false,
+            "collapsed": false
+        },
         {
             "id": "markdownMRkeOn",
             "type": "markdown",
             "body": [
-                "And what about the L1+L0 method?"
+                "In the follwoing cell, the LASSO+$\\ell_0$ method is implemented. Just run the cell."
             ],
             "evaluatorReader": false
         },
@@ -1428,8 +1213,9 @@
                 "body": [
                     "from sklearn.linear_model import Lasso",
                     "import scipy.stats as ss",
+                    "from itertools import combinations",
                     "",
-                    "def iter_LASSO(P , D, lambda_grid, lasso_number=30, print_lasso=False):",
+                    "def iter_lasso(P , D, lambda_grid, lasso_number=30, print_lasso=False):",
                     "    collection=[]",
                     "    if print_lasso:",
                     "        print 'lamda      #collected   Indices'",
@@ -1476,14 +1262,14 @@
                     "            string += '%s %.3f' %(sign,c)",
                     "    return string",
                     "",
-                    "def L1_L0(P,D,features, dimrange=range(1,1+3),lasso_number=30,lambda_grid_points=150,lambda_max_factor=1.0,lambda_min_factor=0.001,print_lasso=False,lambda_grid=None, print_model=False):    ",
+                    "def lasso_L0(P,D,features, dimrange=range(1,1+3), lasso_number=30, lambda_grid_points=150, lambda_max_factor=1.0, lambda_min_factor=0.001, print_lasso=False, lambda_grid=None, print_model=False):    ",
                     "    D_standardized = np.array(ss.zscore(D))",
                     "    ",
                     "    # get lambda grid where maximumx value is maximum lambda with nonzero LASSO solution",
                     "    lambda_grid = evaluate_lambda_grid(P, D_standardized)",
                     "    ",
                     "    # collect first lasso_number features appearing when tuning lambda down",
-                    "    collection = iter_LASSO(P , D_standardized, lambda_grid, lasso_number=lasso_number, print_lasso=print_lasso)    ",
+                    "    collection = iter_lasso(P , D_standardized, lambda_grid, lasso_number=lasso_number, print_lasso=print_lasso)    ",
                     "     ",
                     "    D_collection = D[:,collection]",
                     "     ",
@@ -1507,76 +1293,81 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 565,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "height": 78
             },
             "evaluatorReader": true,
-            "lineCount": 75,
-            "tags": "L1_L0"
+            "lineCount": 76,
+            "tags": "lasso_L0"
         },
         {
-            "id": "codewRNOmz",
+            "id": "codeTMeEsa",
             "type": "code",
             "evaluator": "IPython",
             "input": {
                 "body": [
-                    "out = L1_L0(P, D, feature_list, print_lasso=False, lasso_number=30, print_model=True)"
+                    "#import Data",
+                    "selected_feature_list = ['atomic_rs_max', 'atomic_rp_max', 'atomic_rd_max']",
+                    "allowed_operations = ['+','|-|','exp', '^2']",
+                    "P, D, feature_list, compounds_list, json_paths = get_data(selected_feature_list, allowed_operations)"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "[142, 150, 222, 494, 569, 581, 674, 843, 851, 872, 877, 914, 1095, 1114, 1229, 1439, 1481, 1628, 1963, 2094, 2099, 2103, 2248, 2585, 2709, 2835, 2867, 3112, 3113, 3120]\n0.13721197009\n[-0.05523008 -0.3324946 ]\n(9,)\n0.100215551014\n[ 0.11425013 -1.48249995 -0.14471518]\n(15, 18)\n0.0776915315193"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\n[ 0.10938747 -1.67785644 -9.07743361 -0.03792153]\n(15, 18, 27)\n          RMSE            Model\n1D:\t0.137212\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.100216\t+ 0.114 |IP(B)-EA(B)|/r_p(A)^2 - 1.482 |r_s(A)-r_p(B)|/exp(r_s(A)) - 0.145\n3D:\t0.077692\t+ 0.109 |IP(B)-EA(B)|/r_p(A)^2 - 1.678 |r_s(A)-r_p(B)|/exp(r_s(A)) - 9.077 |r_s(B)-r_p(B)|/exp(r_d(A)+r_s(B)) - 0.038\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "2004E48BC16641468283EE122E3F2C49",
-                "elapsedTime": 9307,
-                "height": 288
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 1
+            "lineCount": 4
+        },
+        {
+            "id": "markdownWLKH4F",
+            "type": "markdown",
+            "body": [
+                "Now run the 'lasso_L0' function. How does the LASSO+$\\ell_0$-method compare to the LASSO and to the $\\ell_0$-regularization in terms of accuracy?  How fast ist the LASSO+$\\ell_0$-method compared to the $\\ell_0$-regularization? If 'print_lasso' is set 'True' the indices of the non-zero coefficients are displayed in each $\\lambda$ step. The argument 'lasso_number' specifies how many features shall be collected in the LASSO part. "
+            ],
+            "evaluatorReader": false
         },
         {
-            "id": "codepuhfUf",
+            "id": "codewRNOmz",
             "type": "code",
-            "evaluator": "HTML",
+            "evaluator": "IPython",
             "input": {
                 "body": [
-                    "<font size=\"+2\" face=\"Impact\">4. Playing around with the L1+L0 tool and vizualization of the descriptors (OPTIONAL)</font> <br> <br>",
-                    "<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">",
-                    "<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">",
-                    "The same as the LASSO+L0 tutorial in the analytics-toolkit.",
-                    "See that the performance is influenced by the considered set of primary features or allowed operations.",
-                    "</textarea><br>",
-                    "</form>"
-                ],
-                "hidden": true
+                    "out = lasso_L0(P, D, feature_list, print_lasso=True, lasso_number=30, print_model=True)"
+                ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<font size=\"+2\" face=\"Impact\">4. Playing around with the L1+L0 tool and vizualization of the descriptors (OPTIONAL)</font> <br> <br>\n<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">\n<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">The same as the LASSO+L0 tutorial in the analytics-toolkit.\nSee that the performance is influenced by the considered set of primary features or allowed operations.\n</textarea><br>\n</form>"
-                },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 249
+                "selectedType": "Results",
+                "pluginName": "IPython",
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 7
+            "lineCount": 1
+        },
+        {
+            "id": "sectionAFf1Fp",
+            "type": "section",
+            "title": "Visualization of the descriptors and experimenting with the LASSO+$\\ell_0$ tool",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownlb696i",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li>Reproduce the results from the <a href=\"http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.105503\" target=\"_blank\">reference publication</a>  by including further features.</li>",
+                "<li>Visualize the 2D descriptors in an interactive structure map.</li>",
+                "<li>Experiment with different settings and investigate the influence of the input parameters on the results. (OPTIONAL)</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "codeh96cIm",
@@ -1584,68 +1375,33 @@
             "evaluator": "JavaScript",
             "input": {
                 "body": [
-                    "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\", \"L0\", \"L1_L0\"];",
+                    "// 'Import' relevant functions from chapters before",
+                    "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\", \"L0\", \"lasso_L0\"];",
                     "var n_functions = functions_list.length",
                     "var i;",
                     "for (i = 0; i < n_functions; i++) {",
                     "    beaker.evaluate(functions_list[i]);",
                     "    beaker.print('import '+functions_list[i]);",
                     "}"
-                ],
-                "hidden": true
+                ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "import json_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import nomad_structure_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energies\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energy_diffs\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_descriptors\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_data\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import L0\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import L1_L0\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "JavaScript",
-                "elapsedTime": 1742,
-                "height": 172
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 7
+            "lineCount": 8
         },
         {
             "id": "markdownk3cQaO",
             "type": "markdown",
             "body": [
-                "Play, now,  with more features, operations and plot afterwards the 2D map for the identified 2D descriptor. The same on https://analytics-toolkit.nomad-coe.eu/home/, with an interface...."
+                "By just clicking 'CALCULATE' in the HTML cell all follwing cells of this chapter will be run performing the LASSO+$\\ell_0$ method and generating a structure map with the found 2D descriptor.  Click 'View interactiv 2D scater plot' to see the structure map.  You do not need to investigate the remaining cells. ",
+                "Note the size of the feature space, the needed time to run the code and the accuracy (using the default settings)!",
+                "",
+                "If you have enough time you can  experiment, now, with the LASSO+$\\ell_0$ tool  including different primary features, arithmetic operations or changing the number of features ('lasso_number') collected  in the LASSO step. There is also  a <a href=\"http://analytics-toolkit.nomad-coe.eu/tutorial-LASSO_L0\">version of the LASSO+$\\ell_0$ tool with an interface</a>."
             ],
             "evaluatorReader": false
         },
@@ -1658,17 +1414,18 @@
                     "<script>",
                     "var run_lasso = function() {",
                     "  $(\"#lasso_result_button\").removeClass(\"active\").addClass(\"disabled\");",
-                    "  beaker.evaluate(\"calc_cell\"); // evaluate cells with tag \"lasso_cell\"",
-                    " // view_result()",
+                    "  beaker.evaluate(\"calc_cell\"); ",
                     "};",
+                    "beaker.view_result = function(result_link) {",
+                    "    $(\"#lasso_result_button\").attr(\"href\", result_link);",
+                    "  $(\"#lasso_result_button\").removeClass(\"disabled\").addClass(\"active\");",
+                    "}",
                     "</script>",
-                    "",
                     "<div class=\"lasso_control\">",
                     "  <p style=\"margin-top: 1ex;\"></p>",
-                    "  <button class=\"btn btn-default\" onclick='run_lasso()' style=\"font-weight: bold;\">RUN</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;",
+                    "  <button class=\"btn btn-default\" onclick='run_lasso()' style=\"font-weight: bold;\">CALCULATE</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;",
                     "  <label title=\"This button becomes active when the",
-                    "run is finished. By clicking it, an interactive plot of the first 2",
-                    "dimensions of the optimized descriptor will be opened\"> ",
+                    "run is finished. By clicking it, an interactive plot of the 2D-descriptor will be opened\"> ",
                     "  <a href=\"#\" target=\"_blank\" class=\"btn btn-primary disabled\" id=\"lasso_result_button\" >View interactive 2D scatter plot</a> </label>",
                     "</div>",
                     ""
@@ -1677,17 +1434,18 @@
             },
             "output": {
                 "state": {},
+                "selectedType": "BeakerDisplay",
+                "height": 0,
                 "result": {
                     "type": "BeakerDisplay",
                     "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<script>\nvar run_lasso = function() {\n  $(\"#lasso_result_button\").removeClass(\"active\").addClass(\"disabled\");\n  beaker.evaluate(\"calc_cell\"); // evaluate cells with tag \"lasso_cell\"\n // view_result()\n};\n</script>\n\n<div class=\"lasso_control\">\n  <p style=\"margin-top: 1ex;\"></p>\n  <button class=\"btn btn-default\" onclick=\"run_lasso()\" style=\"font-weight: bold;\">RUN</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;\n  <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the first 2\ndimensions of the optimized descriptor will be opened\"> \n  <a href=\"/user/tmp/8a055c69f90b5155.html\" target=\"_blank\" class=\"btn btn-primary active\" id=\"lasso_result_button\">View interactive 2D scatter plot</a> </label>\n</div>\n"
+                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<script>\nvar run_lasso = function() {\n  $(\"#lasso_result_button\").removeClass(\"active\").addClass(\"disabled\");\n  beaker.evaluate(\"calc_cell\"); \n};\nbeaker.view_result = function(result_link) {\n    $(\"#lasso_result_button\").attr(\"href\", result_link);\n  $(\"#lasso_result_button\").removeClass(\"disabled\").addClass(\"active\");\n}\n</script>\n<div class=\"lasso_control\">\n  <p style=\"margin-top: 1ex;\"></p>\n  <button class=\"btn btn-default\" onclick='run_lasso()' style=\"font-weight: bold;\">CALCULATE</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;\n  <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the 2D-descriptor will be opened\"> \n  <a href=\"#\" target=\"_blank\" class=\"btn btn-primary disabled\" id=\"lasso_result_button\" >View interactive 2D scatter plot</a> </label>\n</div>\n"
                 },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 87
+                "elapsedTime": 0
             },
             "evaluatorReader": true,
-            "lineCount": 17
+            "lineCount": 18,
+            "initialization": true
         },
         {
             "id": "codeo0JBr5",
@@ -1695,31 +1453,22 @@
             "evaluator": "IPython",
             "input": {
                 "body": [
-                    "#possible features: 'atomic_ionization_potential', 'atomic_electron_affinity', 'atomic_rs_max', 'atomic_rp_max','atomic_rd_max' ...",
-                    "#possible operations: '+','|-|','exp', '^2', '/' ...\\",
+                    "#possible operations: '+', '-', '|-|', '*', '/' '^2', '^3',  'exp'",
+                    "#possible features: \"atomic_ionization_potential\", \"atomic_electron_affinity\", \"atomic_homo\", \"atomic_lumo\", \"atomic_rs_max\", \"atomic_rp_max\", \"atomic_rd_max\", \"atomic_number\", \"atomic_number_valence_electrons\", \"period\", \"atomic_r_by_2_dimer\", \"atomic_electronic_binding_energy_dimer\", \"atomic_electronic_binding_energy_dimer\"",
+                    " ",
                     "",
                     "selected_feature_list = ['atomic_ionization_potential', 'atomic_electron_affinity', 'atomic_rs_max', 'atomic_rp_max','atomic_rd_max']",
                     "allowed_operations = ['+','|-|','exp','^2', '/']",
-                    "allowed_operations = ['+']",
                     "P, D, feature_list, compounds_list, json_paths = get_data(selected_feature_list, allowed_operations)",
-                    "out = L1_L0(P, D, feature_list, print_lasso=False, lasso_number=50, print_model=True)"
+                    "out = lasso_L0(P, D, feature_list, print_lasso=False, lasso_number=50, print_model=True)"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Error",
-                    "object": [
-                        "name &apos;get_data&apos; is not defined",
-                        "name &apos;get_data&apos; is not defined<br><span  class=\"ansired\">---------------------------------------------------------------------------</span><br><span  class=\"ansired\">NameError</span>                                 Traceback (most recent call last)<br><span  class=\"ansigreen\">&lt;ipython-input-1-9ec1b028ce13&gt;</span> in <span  class=\"ansicyan\">&lt;module&gt;<span  class=\"ansiblue\">()</span>\n<span  class=\"ansigreen\">      5</span> allowed_operations <span  class=\"ansiyellow\">=</span> <span  class=\"ansiyellow\">[</span><span  class=\"ansiblue\">&apos;+&apos;</span><span  class=\"ansiyellow\">,</span><span  class=\"ansiblue\">&apos;|-|&apos;</span><span  class=\"ansiyellow\">,</span><span  class=\"ansiblue\">&apos;exp&apos;</span><span  class=\"ansiyellow\">,</span><span  class=\"ansiblue\">&apos;^2&apos;</span><span  class=\"ansiyellow\">,</span> <span  class=\"ansiblue\">&apos;/&apos;</span><span  class=\"ansiyellow\">]</span><span  class=\"ansiyellow\"></span>\n<span  class=\"ansigreen\">      6</span> allowed_operations <span  class=\"ansiyellow\">=</span> <span  class=\"ansiyellow\">[</span><span  class=\"ansiblue\">&apos;+&apos;</span><span  class=\"ansiyellow\">]</span><span  class=\"ansiyellow\"></span>\n<span  class=\"ansigreen\">----&gt; 7<span  class=\"ansiyellow\"> </span>P<span  class=\"ansiyellow\">,</span> D<span  class=\"ansiyellow\">,</span> feature_list<span  class=\"ansiyellow\">,</span> compounds_list<span  class=\"ansiyellow\">,</span> json_paths <span  class=\"ansiyellow\">=</span> get_data<span  class=\"ansiyellow\">(</span>selected_feature_list<span  class=\"ansiyellow\">,</span> allowed_operations<span  class=\"ansiyellow\">)</span><span  class=\"ansiyellow\"></span>\n<span  class=\"ansigreen\">      8</span> out <span  class=\"ansiyellow\">=</span> L1_L0<span  class=\"ansiyellow\">(</span>P<span  class=\"ansiyellow\">,</span> D<span  class=\"ansiyellow\">,</span> feature_list<span  class=\"ansiyellow\">,</span> print_lasso<span  class=\"ansiyellow\">=</span>False<span  class=\"ansiyellow\">,</span> lasso_number<span  class=\"ansiyellow\">=</span><span  class=\"ansicyan\">50</span><span  class=\"ansiyellow\">,</span> print_model<span  class=\"ansiyellow\">=</span>True<span  class=\"ansiyellow\">)</span><span  class=\"ansiyellow\"></span>\n<br><span  class=\"ansired\">NameError</span>: name &apos;get_data&apos; is not defined"
-                    ]
-                },
-                "selectedType": "BeakerDisplay",
+                "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 1240,
-                "height": 81
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 8,
@@ -1759,7 +1508,7 @@
                     "name_html_page = hashlib.sha224(str(parameter_list)).hexdigest()[:16]",
                     "beaker.viewer_result_ZB_RS = name_html_page",
                     "with open(tmp_folder+'output.log', 'w') as f:",
-                    "    f.write(\"Descriptors: %s,%s \\nCoefficients: %s\\n RMSE: %s\\n Allowed operations: %s\" ",
+                    "    f.write(\"Descriptors: %s, %s \\nCoefficients: %s\\n RMSE: %s\\n Allowed operations: %s\\n\" ",
                     "             %(x_axis_label, y_axis_label, coef, RMSE, allowed_operations))",
                     "",
                     "operated_structure_list = _get_structures(json_list=json_paths, file_format='NOMAD', frame_list=frame_list, tmp_folder=tmp_folder,",
@@ -1776,24 +1525,19 @@
                     "                                             plot_convex_hull=False, is_classification=False,",
                     "                                             x_axis_label=x_axis_label, y_axis_label=y_axis_label, plot_title=plot_title,",
                     "                                             tmp_folder=tmp_folder)"
-                ]
+                ],
+                "hidden": true
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Error",
-                    "object": "Evaluation cancelled due to a failure of an earlier cell evaluation"
-                },
-                "selectedType": "BeakerDisplay",
+                "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 5624,
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
                 "dataresult": [
                     "<a target=_blank href='/user/tmp/fc8a35bc76611011.html'>Click here to open the Viewer</a>",
                     "/home/beaker/.beaker/v1/web/tmp/fc8a35bc76611011.html"
                 ],
-                "height": 78
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 45,
@@ -1805,58 +1549,39 @@
             "evaluator": "JavaScript",
             "input": {
                 "body": [
-                    "beaker.view_result = function(result_link) {",
-                    "    $(\"#lasso_result_button\").attr(\"href\", result_link);",
-                    "  $(\"#lasso_result_button\").removeClass(\"disabled\").addClass(\"active\");",
-                    "}",
                     "var result_link = '/user/tmp/' + beaker.viewer_result_ZB_RS + '.html';",
                     "beaker.view_result(result_link);"
-                ]
+                ],
+                "hidden": true
             },
             "output": {
                 "state": {},
                 "selectedType": "BeakerDisplay",
                 "pluginName": "JavaScript",
-                "height": 78,
-                "elapsedTime": 87,
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Error",
-                    "object": "Evaluation cancelled due to a failure of an earlier cell evaluation"
-                }
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 6,
+            "lineCount": 2,
             "tags": "calc_cell"
         },
         {
-            "id": "codeJpdFAc",
-            "type": "code",
-            "evaluator": "HTML",
-            "input": {
-                "body": [
-                    "<font size=\"+2\" face=\"Impact\">5. Predicting properties of new materials</font> <br> <br>",
-                    "<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">",
-                    "<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">",
-                    "Do LOOCV ...",
-                    "</textarea><br>",
-                    "</form>"
-                ],
-                "hidden": true
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "BeakerDisplay",
-                    "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<font size=\"+2\" face=\"Impact\">5. Predicting properties of new materials</font> <br> <br>\n<form action=\"/html/tags/html_form_tag_action.cfm\" method=\"post\">\n<textarea name=\"comments\" id=\"comments\" style=\"width:96%;padding:1%;height:160px;font:18px/26px cursive;border:17px double green;\">Do LOOCV ...\n</textarea><br>\n</form>"
-                },
-                "selectedType": "BeakerDisplay",
-                "height": 249,
-                "elapsedTime": 0
-            },
-            "evaluatorReader": true,
-            "lineCount": 6
+            "id": "sectionI0mFHO",
+            "type": "section",
+            "title": "Predicting properties of new materials",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownzajQdg",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li>Perform a leave-one-out cross-validation (LOOCV) using the LASSO+$\\ell_0$ method.</li>",
+                "<li>Analyze the prediction accuracy and how often the same descriptor is selected.</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "codeHbn2aL",
@@ -1864,68 +1589,32 @@
             "evaluator": "JavaScript",
             "input": {
                 "body": [
-                    "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\", \"L0\", \"L1_L0\"];",
+                    "// 'Import' relevant functions from chapters before",
+                    "var functions_list = [\"json_list\", \"nomad_structure_list\", \"get_energies\", \"get_energy_diffs\", \"get_descriptors\", \"get_data\", \"L0\", \"lasso_L0\"];",
                     "var n_functions = functions_list.length",
                     "var i;",
                     "for (i = 0; i < n_functions; i++) {",
                     "    beaker.evaluate(functions_list[i]);",
                     "    beaker.print('import '+functions_list[i]);",
                     "}"
-                ],
-                "hidden": true
+                ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "import json_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import nomad_structure_list\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energies\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_energy_diffs\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_descriptors\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import get_data\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import L0\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "import L1_L0\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "JavaScript",
-                "elapsedTime": 1436,
-                "height": 172
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 7
+            "lineCount": 8
         },
         {
             "id": "markdownvfZJaN",
             "type": "markdown",
             "body": [
-                "We obtain good fits. But what about predicting Ediff of a new material? We test the prediction performance via leave one out CV. How is the prediction error compared to the fitting error? How often is the same descriptor selected?"
+                "We have seen that we can fit the energy differences of materials accurately. But what about predicting the energy difference of a 'new' material (which was not included when determining the model)? We test the prediction performance via LOOCV.  In a LOOCV for each material the following procedure is performed: the selected material is excluded, the model is built on the remaining materials and the model accurcy is tested on the left out material . This means that we need to run the LASSO+$l_0$ function 82 times. <br>",
+                "Get the data in the next cell and run the LOOCV  one cell after. Note that running the LOOCV  could take up to ten minutes. Use the remaining two cells of this chapter to analyse the results.<br>",
+                "How is the prediction error compared to the fitting error? How often is the same descriptor selected? Are there materials which had a outlying high/low error?"
             ],
             "evaluatorReader": false
         },
@@ -1943,46 +1632,21 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "INFO: Selected operations:\n ['+', '|-|', 'exp', '^2', '/']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 3391\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "height": 89,
-                "elapsedTime": 7663
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
             "lineCount": 4
         },
-        {
-            "id": "markdownUgg3tS",
-            "type": "markdown",
-            "body": [
-                "(For a fast run set lasso_number=3 )"
-            ],
-            "evaluatorReader": false
-        },
         {
             "id": "codel2Xara",
             "type": "code",
             "evaluator": "IPython",
             "input": {
                 "body": [
-                    "from IPython.display import display",
                     "from collections import Counter",
-                    "pd.set_option('max_colwidth', 800)",
-                    "pd.set_option('display.expand_frame_repr', False)",
                     "",
                     "def split_data(P, D, cv_i):",
                     "    P_1, P_test, P_2 = np.split(P, [cv_i, cv_i+1])",
@@ -1997,15 +1661,16 @@
                     "dimensions = range(1,4)",
                     "features_count = [[] for i in range(3)]",
                     "P_predict = np.empty([len(dimensions),compounds])",
+                    "print \"####### The LOOCV could take up to 10 minutes #######\\n\"",
                     "for cv_i in range(compounds):",
-                    "    print 'Leave out %s: Ediff_ref = %s eV' %(compounds_list[cv_i],P[cv_i])  ",
+                    "    print '%2s) Leave out %s: Ediff_ref = %s eV' %(cv_i+1, compounds_list[cv_i],P[cv_i])  ",
                     "    P_train, P_test, D_train, D_test = split_data(P, D, cv_i)",
-                    "    out = L1_L0(P_train, D_train, feature_list, print_lasso=False, lasso_number=3, print_model=True)",
+                    "    out = lasso_L0(P_train, D_train, feature_list, print_lasso=False, lasso_number=20, print_model=True)",
                     "    ",
                     "    for dim in dimensions:",
                     "        indices_for_D, coef, RMSE = out[dim-1]        ",
                     "        features = [ feature_list[i] for i in indices_for_D]",
-                    "        predicted_val = np.dot(D_test[:, indices_for_D+[-1]], coef)",
+                    "        predicted_val = np.dot(D_test[:, indices_for_D+[-1]], coef)[0]",
                     "        ",
                     "        features_count[dim-1].append( tuple(features) )        ",
                     "        P_predict[dim-1,cv_i] = predicted_val",
@@ -2016,352 +1681,14 @@
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "Leave out SeZn: Ediff_ref = 0.263136899281 eV\n          RMSE            Model\n1D:\t0.137497\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124375\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.169 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124144\t- 0.024 IP(A)+IP(B)/r_p(A)^2 + 0.014 |IP(B)-EA(B)|/r_p(A)^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.279"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.15075502] eV\nEdiff_predicted(2D) = [ 0.10408768] eV\nEdiff_predicted(3D) = [ 0.09614296] eV\n-----\nLeave out InSb: Ediff_ref = 0.0780598730198 eV\n          RMSE            Model\n1D:\t0.137854\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125459\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124632\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.0104307] eV\nEdiff_predicted(2D) = [ 0.02426716] eV\nEdiff_predicted(3D) = [ 0.02624361] eV\n-----\nLeave out CuI: Ediff_ref = 0.204674583263 eV\n          RMSE            Model\n1D:\t0.136996\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.335\n2D:\t0.123637\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.170 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.123420\t- 0.024 IP(A)+IP(B)/r_p(A)^2 + 0.014 |IP(B)-EA(B)|/r_p(A)^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.280"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.05002566] eV\nEdiff_predicted(2D) = [ 0.00365522] eV\nEdiff_predicted(3D) = [-0.00172148] eV\n-----\nLeave out SZn: Ediff_ref = 0.275813325607 eV\n          RMSE            Model\n1D:\t0.137564\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.121381\t+ 1.164 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.201 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.238\n3D:\t0.117023\t- 0.017 IP(A)+IP(B)/r_p(A)^2 + 0.847 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.136 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.17034522] eV\nEdiff_predicted(2D) = [ 0.09354659] eV\nEdiff_predicted(3D) = [ 0.11807569] eV\n-----\nLeave out BN: Ediff_ref = 1.71208026084 eV\n          RMSE            Model\n1D:\t0.133112\t- 0.211 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.408\n2D:\t0.124809\t- 0.124 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.147 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.326\n3D:\t0.123889\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.070 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.135 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.309"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 1.30359451] eV\nEdiff_predicted(2D) = [ 1.54804489] eV\nEdiff_predicted(3D) = [ 1.55089326] eV\n-----\nLeave out OSr: Ediff_ref = -0.220306623174 eV\n          RMSE            Model\n1D:\t0.137775\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.331\n2D:\t0.125462\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.272\n3D:\t0.124664\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.14037278] eV\nEdiff_predicted(2D) = [-0.16694362] eV\nEdiff_predicted(3D) = [-0.17513133] eV\n-----\nLeave out BrRb: Ediff_ref = -0.163820531423 eV\n          RMSE            Model\n1D:\t0.137783\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125311\t- 0.115 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.321\n3D:\t0.124461\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.062 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.304"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.24274969] eV\nEdiff_predicted(2D) = [-0.25499139] eV\nEdiff_predicted(3D) = [-0.2433736] eV\n-----\nLeave out BaTe: Ediff_ref = -0.375386809668 eV\n          RMSE            Model\n1D:\t0.136799\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.121380\t+ 1.169 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.199 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.232\n3D:\t0.116736\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.842 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.20645395] eV\nEdiff_predicted(2D) = [-0.19253215] eV\nEdiff_predicted(3D) = [-0.20100616] eV\n-----\nLeave out BeSe: Ediff_ref = 0.494940442775 eV\n          RMSE            Model\n1D:\t0.137905\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125493\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.125311\t- 0.025 IP(A)+IP(B)/r_p(A)^2 + 0.013 |IP(B)-EA(B)|/r_p(A)^2 + 0.154 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.279"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.4361136] eV\nEdiff_predicted(2D) = [ 0.44794924] eV\nEdiff_predicted(3D) = [ 0.43476893] eV\n-----\nLeave out MgS: Ediff_ref = -0.0866995049882 eV\n          RMSE            Model\n1D:\t0.137906\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125588\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124736\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.02829048] eV\nEdiff_predicted(2D) = [-0.07112915] eV\nEdiff_predicted(3D) = [-0.06322128] eV\n-----\nLeave out GaN: Ediff_ref = 0.433445239094 eV\n          RMSE            Model\n1D:\t0.136889\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.123036\t+ 1.173 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.200 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.236\n3D:\t0.118135\t- 0.019 IP(A)+IP(B)/r_p(A)^2 + 0.840 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.128 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.27106096] eV\nEdiff_predicted(2D) = [ 0.42672588] eV\nEdiff_predicted(3D) = [ 0.3750455] eV\n-----\nLeave out BrNa: Ediff_ref = -0.126428727883 eV\n          RMSE            Model\n1D:\t0.137892\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125374\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124486\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.060 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.18757753] eV\nEdiff_predicted(2D) = [-0.19469159] eV\nEdiff_predicted(3D) = [-0.20199056] eV\n-----\nLeave out BP: Ediff_ref = 1.0192251612 eV\n          RMSE            Model\n1D:\t0.137692\t- 0.056 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124815\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124165\t- 0.018 IP(A)+IP(B)/r_p(A)^2 - 0.051 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.298"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 1.11324738] eV\nEdiff_predicted(2D) = [ 1.15100301] eV\nEdiff_predicted(3D) = [ 1.13494419] eV\n-----\nLeave out ClRb: Ediff_ref = -0.160503554078 eV\n          RMSE            Model\n1D:\t0.137807\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125325\t- 0.115 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.321\n3D:\t0.124470\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.062 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.304"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.23589987] eV\nEdiff_predicted(2D) = [-0.24999333] eV\nEdiff_predicted(3D) = [-0.23873538] eV\n-----\nLeave out MgSe: Ediff_ref = -0.0553018019564 eV\n          RMSE            Model\n1D:\t0.138048\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125564\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124742\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.0418842] eV\nEdiff_predicted(2D) = [-0.08225655] eV\nEdiff_predicted(3D) = [-0.07593747] eV\n-----\nLeave out FK: Ediff_ref = -0.146406098498 eV\n          RMSE            Model\n1D:\t0.138001\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125599\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124748\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.11080938] eV\nEdiff_predicted(2D) = [-0.14869244] eV\nEdiff_predicted(3D) = [-0.16427732] eV\n-----\nLeave out BrLi: Ediff_ref = -0.0327462128844 eV\n          RMSE            Model\n1D:\t0.137936\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125168\t- 0.113 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.171 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.319\n3D:\t0.124338\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.061 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.303"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.08502249] eV\nEdiff_predicted(2D) = [-0.13834997] eV\nEdiff_predicted(3D) = [-0.12648864] eV\n-----\nLeave out BSb: Ediff_ref = 0.580849114369 eV\n          RMSE            Model\n1D:\t0.129244\t- 0.057 IP(A)+IP(B)/r_p(A)^2 - 0.339\n2D:\t0.116658\t- 0.032 IP(A)+IP(B)/r_p(A)^2 + 0.160 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.281\n3D:\t0.111997\t+ 0.636 |IP(A)-EA(A)|/exp(r_p(A)+r_d(B)) - 0.022 IP(A)+IP(B)/r_p(A)^2 + 0.137 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.309"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 1.03278503] eV\nEdiff_predicted(2D) = [ 1.01450282] eV\nEdiff_predicted(3D) = [ 0.9598292] eV\n-----\nLeave out MgTe: Ediff_ref = -0.00459128664806 eV\n          RMSE            Model\n1D:\t0.137924\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125190\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.166 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124390\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.160 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.05935249] eV\nEdiff_predicted(2D) = [-0.09670621] eV\nEdiff_predicted(3D) = [-0.09228555] eV\n-----\nLeave out GeSn: Ediff_ref = 0.0816633602371 eV\n          RMSE            Model\n1D:\t0.138000\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125385\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.166 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.272\n3D:\t0.124525\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.11731681] eV\nEdiff_predicted(2D) = [ 0.14820777] eV\nEdiff_predicted(3D) = [ 0.15155836] eV\n-----\nLeave out GeSi: Ediff_ref = 0.263210170178 eV\n          RMSE            Model\n1D:\t0.138006\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.124979\t- 0.112 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.172 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.315\n3D:\t0.124227\t- 0.014 IP(A)+IP(B)/r_p(A)^2 - 0.063 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.29699847] eV\nEdiff_predicted(2D) = [ 0.38597801] eV\nEdiff_predicted(3D) = [ 0.36916764] eV\n-----\nLeave out CaTe: Ediff_ref = -0.350456279077 eV\n          RMSE            Model\n1D:\t0.136487\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.121164\t+ 1.185 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.198 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.233\n3D:\t0.116442\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.855 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.130 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.16203822] eV\nEdiff_predicted(2D) = [-0.15606928] eV\nEdiff_predicted(3D) = [-0.16048091] eV\n-----\nLeave out ClK: Ediff_ref = -0.164460680211 eV\n          RMSE            Model\n1D:\t0.138056\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125587\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.170 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.319\n3D:\t0.124712\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.060 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.16236946] eV\nEdiff_predicted(2D) = [-0.21442169] eV\nEdiff_predicted(3D) = [-0.19707523] eV\n-----\nLeave out BaO: Ediff_ref = -0.0929985538678 eV\n          RMSE            Model\n1D:\t0.137869\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125065\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.170 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.320\n3D:\t0.124267\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.063 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.304"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.15834591] eV\nEdiff_predicted(2D) = [-0.20836666] eV\nEdiff_predicted(3D) = [-0.19462827] eV\n-----\nLeave out BrCs: Ediff_ref = -0.155867302994 eV\n          RMSE            Model\n1D:\t0.137730\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125184\t- 0.116 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.322\n3D:\t0.124372\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.064 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.305"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.24213268] eV\nEdiff_predicted(2D) = [-0.26068501] eV\nEdiff_predicted(3D) = [-0.24668866] eV\n-----\nLeave out CsF: Ediff_ref = -0.108263318674 eV\n          RMSE            Model\n1D:\t0.137647\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.335\n2D:\t0.124921\t- 0.115 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.321\n3D:\t0.124128\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.064 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.306"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.20482227] eV\nEdiff_predicted(2D) = [-0.23614153] eV\nEdiff_predicted(3D) = [-0.22335521] eV\n-----\nLeave out BrCu: Ediff_ref = 0.152442639788 eV\n          RMSE            Model\n1D:\t0.137813\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.124889\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124222\t- 0.017 IP(A)+IP(B)/r_p(A)^2 - 0.052 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.298"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.07828605] eV\nEdiff_predicted(2D) = [ 0.0311271] eV\nEdiff_predicted(3D) = [ 0.04602869] eV\n-----\nLeave out CGe: Ediff_ref = 0.8114428802 eV\n          RMSE            Model\n1D:\t0.131019\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.122072\t- 0.033 IP(A)+IP(B)/r_p(A)^2 + 0.141 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.282\n3D:\t0.116427\t+ 0.710 |IP(A)-EA(A)|/exp(r_p(A)+r_d(B)) - 0.022 IP(A)+IP(B)/r_p(A)^2 + 0.119 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.312"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.41605668] eV\nEdiff_predicted(2D) = [ 0.53320096] eV\nEdiff_predicted(3D) = [ 0.5805244] eV\n-----\nLeave out ILi: Ediff_ref = -0.0216609363415 eV\n          RMSE            Model\n1D:\t0.137752\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124855\t- 0.113 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.171 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.320\n3D:\t0.124060\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.063 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.304"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.10474638] eV\nEdiff_predicted(2D) = [-0.1543115] eV\nEdiff_predicted(3D) = [-0.14227208] eV\n-----\nLeave out FLi: Ediff_ref = -0.0594883168637 eV\n          RMSE            Model\n1D:\t0.137844\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.331\n2D:\t0.125589\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124758\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.00990553] eV\nEdiff_predicted(2D) = [-0.04503785] eV\nEdiff_predicted(3D) = [-0.04955294] eV\n-----\nLeave out CuF: Ediff_ref = -0.0170222723427 eV\n          RMSE            Model\n1D:\t0.134586\t- 0.101 EA(A)+IP(B)/r_p(A)^2 - 0.380\n2D:\t0.122900\t- 0.122 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.324\n3D:\t0.121867\t- 0.088 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.023 EA(A)+IP(B)/r_p(A)^2 + 0.133 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.332"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.3748617] eV\nEdiff_predicted(2D) = [ 0.22641038] eV\nEdiff_predicted(3D) = [ 0.25444612] eV\n-----\nLeave out FNa: Ediff_ref = -0.145788137788 eV\n          RMSE            Model\n1D:\t0.138047\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125585\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124749\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.13104841] eV\nEdiff_predicted(2D) = [-0.1631863] eV\nEdiff_predicted(3D) = [-0.16249984] eV\n-----\nLeave out C2: Ediff_ref = 2.62860363913 eV\n          RMSE            Model\n1D:\t0.119515\t- 0.254 IP(B)/exp(r_p(A)^2) - 0.178\n2D:\t0.109171\t+ 0.860 |IP(A)-EA(A)|/exp(r_p(A)+r_d(B)) + 0.202 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.249\n3D:\t0.109105\t- 0.041 IP(B)/exp(r_p(A)^2) + 0.842 |IP(A)-EA(A)|/exp(r_p(A)+r_d(B)) + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.248"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 1.67626919] eV\nEdiff_predicted(2D) = [ 2.00437933] eV\nEdiff_predicted(3D) = [ 1.97167968] eV\n-----\nLeave out AgBr: Ediff_ref = -0.0300334167114 eV\n          RMSE            Model\n1D:\t0.138036\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125561\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124746\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.00862586] eV\nEdiff_predicted(2D) = [-0.05838432] eV\nEdiff_predicted(3D) = [-0.04859292] eV\n-----\nLeave out MgO: Ediff_ref = -0.232274724317 eV\n          RMSE            Model\n1D:\t0.134610\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.128367\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.058 |IP(B)-EA(B)|/r_p(A)^2 - 0.384\n3D:\t0.128204\t- 0.008 IP(A)+IP(B)/r_p(A)^2 - 0.094 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.052 |IP(B)-EA(B)|/r_p(A)^2 - 0.375"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.04535181] eV\nEdiff_predicted(2D) = [ 0.09853452] eV\nEdiff_predicted(3D) = [ 0.09109887] eV\n-----\nLeave out FRb: Ediff_ref = -0.135595776985 eV\n          RMSE            Model\n1D:\t0.137839\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125292\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.169 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.320\n3D:\t0.124429\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.061 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.304"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.2060295] eV\nEdiff_predicted(2D) = [-0.22847222] eV\nEdiff_predicted(3D) = [-0.21884723] eV\n-----\nLeave out AlN: Ediff_ref = 0.0729490731696 eV\n          RMSE            Model\n1D:\t0.136161\t+ 0.340 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.190\n2D:\t0.122914\t- 0.028 IP(A)+IP(B)/r_p(A)^2 + 0.176 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.267\n3D:\t0.122440\t- 0.021 IP(A)+IP(B)/r_p(A)^2 + 0.020 |IP(B)-EA(B)|/r_p(A)^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.38635848] eV\nEdiff_predicted(2D) = [ 0.30986717] eV\nEdiff_predicted(3D) = [ 0.32963747] eV\n-----\nLeave out Si2: Ediff_ref = 0.279165821548 eV\n          RMSE            Model\n1D:\t0.137896\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.124792\t- 0.112 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.174 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.315\n3D:\t0.123993\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.061 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.162 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.33954648] eV\nEdiff_predicted(2D) = [ 0.41702637] eV\nEdiff_predicted(3D) = [ 0.40564171] eV\n-----\nLeave out SiSn: Ediff_ref = 0.135108799106 eV\n          RMSE            Model\n1D:\t0.138049\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125581\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124737\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.12259476] eV\nEdiff_predicted(2D) = [ 0.1546077] eV\nEdiff_predicted(3D) = [ 0.15826796] eV\n-----\nLeave out ClLi: Ediff_ref = -0.0383814826992 eV\n          RMSE            Model\n1D:\t0.138019\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125351\t- 0.113 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.171 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.318\n3D:\t0.124497\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.060 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.06737774] eV\nEdiff_predicted(2D) = [-0.12421013] eV\nEdiff_predicted(3D) = [-0.11256307] eV\n-----\nLeave out ClNa: Ediff_ref = -0.132991985081 eV\n          RMSE            Model\n1D:\t0.137971\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125449\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124579\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.17701984] eV\nEdiff_predicted(2D) = [-0.18881173] eV\nEdiff_predicted(3D) = [-0.19456368] eV\n-----\nLeave out AsIn: Ediff_ref = 0.134047575193 eV\n          RMSE            Model\n1D:\t0.137573\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125241\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275\n3D:\t0.124429\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.02946056] eV\nEdiff_predicted(2D) = [ 0.04806384] eV\nEdiff_predicted(3D) = [ 0.05136671] eV\n-----\nLeave out OZn: Ediff_ref = 0.101968176768 eV\n          RMSE            Model\n1D:\t0.135541\t- 0.220 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.421\n2D:\t0.123289\t- 0.121 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.324\n3D:\t0.122867\t- 0.011 IP(A)+IP(B)/r_p(A)^2 - 0.083 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.151 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.312"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.41240846] eV\nEdiff_predicted(2D) = [ 0.32786484] eV\nEdiff_predicted(3D) = [ 0.30653394] eV\n-----\nLeave out CaSe: Ediff_ref = -0.360797734422 eV\n          RMSE            Model\n1D:\t0.136102\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.328\n2D:\t0.121366\t+ 1.172 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.199 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.233\n3D:\t0.116462\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.836 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.130 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.1506727] eV\nEdiff_predicted(2D) = [-0.17723492] eV\nEdiff_predicted(3D) = [-0.17197374] eV\n-----\nLeave out CdO: Ediff_ref = -0.0841613580269 eV\n          RMSE            Model\n1D:\t0.135465\t- 0.219 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.419\n2D:\t0.123389\t- 0.121 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.323\n3D:\t0.122747\t- 0.013 IP(A)+IP(B)/r_p(A)^2 - 0.075 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.149 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.308"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.22822733] eV\nEdiff_predicted(2D) = [ 0.13705524] eV\nEdiff_predicted(3D) = [ 0.12299168] eV\n-----\nLeave out InP: Ediff_ref = 0.179193287229 eV\n          RMSE            Model\n1D:\t0.137211\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124921\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275\n3D:\t0.124128\t- 0.017 IP(A)+IP(B)/r_p(A)^2 - 0.056 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.04104957] eV\nEdiff_predicted(2D) = [ 0.06106727] eV\nEdiff_predicted(3D) = [ 0.06520829] eV\n-----\nLeave out Sn2: Ediff_ref = 0.0169638991938 eV\n          RMSE            Model\n1D:\t0.137738\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.331\n2D:\t0.125050\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.166 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.271\n3D:\t0.124182\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.159 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.10179315] eV\nEdiff_predicted(2D) = [ 0.12327916] eV\nEdiff_predicted(3D) = [ 0.12594297] eV\n-----\nLeave out SSr: Ediff_ref = -0.36843412993 eV\n          RMSE            Model\n1D:\t0.136449\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.121681\t+ 1.163 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.200 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.233\n3D:\t0.116824\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.828 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.17767313] eV\nEdiff_predicted(2D) = [-0.20283026] eV\nEdiff_predicted(3D) = [-0.19896554] eV\n-----\nLeave out InN: Ediff_ref = 0.153720292699 eV\n          RMSE            Model\n1D:\t0.138044\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125564\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.272\n3D:\t0.124693\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.13669367] eV\nEdiff_predicted(2D) = [ 0.1807579] eV\nEdiff_predicted(3D) = [ 0.1919405] eV\n-----\nLeave out BaSe: Ediff_ref = -0.343445134087 eV\n          RMSE            Model\n1D:\t0.137129\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.122095\t+ 1.164 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.200 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.233\n3D:\t0.117353\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.833 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.271"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.19834238] eV\nEdiff_predicted(2D) = [-0.2052629] eV\nEdiff_predicted(3D) = [-0.20751041] eV\n-----\nLeave out BrK: Ediff_ref = -0.166175964194 eV\n          RMSE            Model\n1D:\t0.138054\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125559\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.170 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.319\n3D:\t0.124693\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.060 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.17416216] eV\nEdiff_predicted(2D) = [-0.22184967] eV\nEdiff_predicted(3D) = [-0.20460128] eV\n-----\nLeave out AlAs: Ediff_ref = 0.213261849109 eV\n          RMSE            Model\n1D:\t0.137448\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125276\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275\n3D:\t0.124461\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.09606995] eV\nEdiff_predicted(2D) = [ 0.13156608] eV\nEdiff_predicted(3D) = [ 0.13444563] eV\n-----\nLeave out BeTe: Ediff_ref = 0.468585910494 eV\n          RMSE            Model\n1D:\t0.137820\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125285\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.165 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.125021\t- 0.024 IP(A)+IP(B)/r_p(A)^2 + 0.016 |IP(B)-EA(B)|/r_p(A)^2 + 0.153 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.280"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.39524077] eV\nEdiff_predicted(2D) = [ 0.38793744] eV\nEdiff_predicted(3D) = [ 0.36791816] eV\n-----\nLeave out CdS: Ediff_ref = 0.0726727959118 eV\n          RMSE            Model\n1D:\t0.138046\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125377\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124630\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.055 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.160 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.0572691] eV\nEdiff_predicted(2D) = [ 0.00462293] eV\nEdiff_predicted(3D) = [ 0.01983844] eV\n-----\nLeave out CdTe: Ediff_ref = 0.114539532195 eV\n          RMSE            Model\n1D:\t0.137670\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124596\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.169 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.123911\t- 0.017 IP(A)+IP(B)/r_p(A)^2 - 0.053 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.162 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.298"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.02109435] eV\nEdiff_predicted(2D) = [-0.0296647] eV\nEdiff_predicted(3D) = [-0.01848469] eV\n-----\nLeave out TeZn: Ediff_ref = 0.245001295174 eV\n          RMSE            Model\n1D:\t0.137428\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124212\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.169 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.123921\t- 0.023 IP(A)+IP(B)/r_p(A)^2 + 0.016 |IP(B)-EA(B)|/r_p(A)^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.280"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.12587239] eV\nEdiff_predicted(2D) = [ 0.07569601] eV\nEdiff_predicted(3D) = [ 0.06358733] eV\n-----\nLeave out GaP: Ediff_ref = 0.348751797752 eV\n          RMSE            Model\n1D:\t0.136321\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.335\n2D:\t0.122405\t+ 1.180 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.199 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.237\n3D:\t0.117280\t- 0.019 IP(A)+IP(B)/r_p(A)^2 + 0.835 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.128 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.277"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.151172] eV\nEdiff_predicted(2D) = [ 0.23573227] eV\nEdiff_predicted(3D) = [ 0.20742887] eV\n-----\nLeave out CdSe: Ediff_ref = 0.083571949086 eV\n          RMSE            Model\n1D:\t0.137978\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125176\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124454\t- 0.017 IP(A)+IP(B)/r_p(A)^2 - 0.054 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.299"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.04144371] eV\nEdiff_predicted(2D) = [-0.01018654] eV\nEdiff_predicted(3D) = [ 0.00323848] eV\n-----\nLeave out INa: Ediff_ref = -0.114838222187 eV\n          RMSE            Model\n1D:\t0.137742\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125202\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.170 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.320\n3D:\t0.124320\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.061 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.303"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.1994169] eV\nEdiff_predicted(2D) = [-0.21728009] eV\nEdiff_predicted(3D) = [-0.21043811] eV\n-----\nLeave out AlP: Ediff_ref = 0.218958341476 eV\n          RMSE            Model\n1D:\t0.137532\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125362\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124549\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.057 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.11014289] eV\nEdiff_predicted(2D) = [ 0.14885863] eV\nEdiff_predicted(3D) = [ 0.152554] eV\n-----\nLeave out AgCl: Ediff_ref = -0.0427972782054 eV\n          RMSE            Model\n1D:\t0.137927\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.125599\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124755\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.059 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.01135625] eV\nEdiff_predicted(2D) = [-0.04242312] eV\nEdiff_predicted(3D) = [-0.03022199] eV\n-----\nLeave out AsGa: Ediff_ref = 0.27427777242 eV\n          RMSE            Model\n1D:\t0.137217\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.122594\t+ 1.188 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.198 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.237\n3D:\t0.117677\t- 0.019 IP(A)+IP(B)/r_p(A)^2 + 0.852 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.128 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.276"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.13666291] eV\nEdiff_predicted(2D) = [ 0.17926679] eV\nEdiff_predicted(3D) = [ 0.16357558] eV\n-----\nLeave out Ge2: Ediff_ref = 0.200852526061 eV\n          RMSE            Model\n1D:\t0.137706\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.124231\t- 0.112 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.173 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.315\n3D:\t0.123548\t- 0.014 IP(A)+IP(B)/r_p(A)^2 - 0.065 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.162 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.28995883] eV\nEdiff_predicted(2D) = [ 0.37536014] eV\nEdiff_predicted(3D) = [ 0.35997386] eV\n-----\nLeave out SeSr: Ediff_ref = -0.374510951733 eV\n          RMSE            Model\n1D:\t0.136468\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.121463\t+ 1.166 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.200 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.232\n3D:\t0.116672\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.833 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.18485073] eV\nEdiff_predicted(2D) = [-0.19623238] eV\nEdiff_predicted(3D) = [-0.19667018] eV\n-----\nLeave out CSi: Ediff_ref = 0.669023727236 eV\n          RMSE            Model\n1D:\t0.136280\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.121605\t+ 1.219 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.197 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.238\n3D:\t0.118100\t- 0.017 IP(A)+IP(B)/r_p(A)^2 + 0.885 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.136 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.271"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.46819481] eV\nEdiff_predicted(2D) = [ 0.84271714] eV\nEdiff_predicted(3D) = [ 0.73804446] eV\n-----\nLeave out BeO: Ediff_ref = 0.691837577233 eV\n          RMSE            Model\n1D:\t0.137952\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.332\n2D:\t0.122811\t+ 1.225 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.193 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.238\n3D:\t0.118090\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.891 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.125 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.64270543] eV\nEdiff_predicted(2D) = [ 0.61729735] eV\nEdiff_predicted(3D) = [ 0.62104792] eV\n-----\nLeave out AgI: Ediff_ref = 0.0369254196412 eV\n          RMSE            Model\n1D:\t0.137849\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.124970\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124207\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.055 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.03159265] eV\nEdiff_predicted(2D) = [-0.07733851] eV\nEdiff_predicted(3D) = [-0.07021701] eV\n-----\nLeave out AsB: Ediff_ref = 0.874978183765 eV\n          RMSE            Model\n1D:\t0.136271\t- 0.056 IP(A)+IP(B)/r_p(A)^2 - 0.336\n2D:\t0.122787\t+ 1.143 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.205 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.235\n3D:\t0.117518\t- 0.019 IP(A)+IP(B)/r_p(A)^2 + 0.765 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.137 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.275"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 1.08191291] eV\nEdiff_predicted(2D) = [ 0.9500817] eV\nEdiff_predicted(3D) = [ 1.00707945] eV\n-----\nLeave out CaS: Ediff_ref = -0.369133194537 eV\n          RMSE            Model\n1D:\t0.135764\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.328\n2D:\t0.121371\t+ 1.166 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.200 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.232\n3D:\t0.116358\t- 0.019 IP(A)+IP(B)/r_p(A)^2 + 0.826 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.130 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.270"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.14173767] eV\nEdiff_predicted(2D) = [-0.18579363] eV\nEdiff_predicted(3D) = [-0.17498367] eV\n-----\nLeave out AgF: Ediff_ref = -0.153757673179 eV\n          RMSE            Model\n1D:\t0.135085\t- 0.101 EA(A)+IP(B)/r_p(A)^2 - 0.378\n2D:\t0.129118\t- 0.110 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.051 EA(A)+IP(B)/r_p(A)^2 - 0.402\n3D:\t0.129026\t- 0.006 IP(A)+IP(B)/r_p(A)^2 - 0.096 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 - 0.046 EA(A)+IP(B)/r_p(A)^2 - 0.395"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.2230028] eV\nEdiff_predicted(2D) = [ 0.19710646] eV\nEdiff_predicted(3D) = [ 0.18705953] eV\n-----\nLeave out GaSb: Ediff_ref = 0.154625285097 eV\n          RMSE            Model\n1D:\t0.137980\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125598\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124761\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.158 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.11306356] eV\nEdiff_predicted(2D) = [ 0.15031465] eV\nEdiff_predicted(3D) = [ 0.16124591] eV\n-----\nLeave out IK: Ediff_ref = -0.167039145163 eV\n          RMSE            Model\n1D:\t0.138038\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125516\t- 0.114 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.169 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.319\n3D:\t0.124662\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.061 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.18730625] eV\nEdiff_predicted(2D) = [-0.23018701] eV\nEdiff_predicted(3D) = [-0.21305959] eV\n-----\nLeave out BaS: Ediff_ref = -0.319762429426 eV\n          RMSE            Model\n1D:\t0.137337\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.330\n2D:\t0.122454\t+ 1.164 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.201 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.234\n3D:\t0.117678\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.831 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.271"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.19192047] eV\nEdiff_predicted(2D) = [-0.21091986] eV\nEdiff_predicted(3D) = [-0.20940786] eV\n-----\nLeave out CsI: Ediff_ref = -0.162387474498 eV\n          RMSE            Model\n1D:\t0.137721\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125198\t- 0.116 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.322\n3D:\t0.124386\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.064 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.305"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.24989187] eV\nEdiff_predicted(2D) = [-0.26585831] eV\nEdiff_predicted(3D) = [-0.25163592] eV\n-----\nLeave out ClCs: Ediff_ref = -0.150346157447 eV\n          RMSE            Model\n1D:\t0.137741\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125174\t- 0.115 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.322\n3D:\t0.124362\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.064 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.305"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.23514962] eV\nEdiff_predicted(2D) = [-0.25603213] eV\nEdiff_predicted(3D) = [-0.24223189] eV\n-----\nLeave out CaO: Ediff_ref = -0.265219041319 eV\n          RMSE            Model\n1D:\t0.136780\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.124781\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.272\n3D:\t0.124566\t- 0.025 IP(A)+IP(B)/r_p(A)^2 + 0.014 |IP(B)-EA(B)|/r_p(A)^2 + 0.150 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.278"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.09534856] eV\nEdiff_predicted(2D) = [-0.13504662] eV\nEdiff_predicted(3D) = [-0.12676689] eV\n-----\nLeave out ClCu: Ediff_ref = 0.156258713192 eV\n          RMSE            Model\n1D:\t0.137931\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125100\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.167 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124424\t- 0.017 IP(A)+IP(B)/r_p(A)^2 - 0.053 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.161 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.298"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.1030496] eV\nEdiff_predicted(2D) = [ 0.05451237] eV\nEdiff_predicted(3D) = [ 0.07178534] eV\n-----\nLeave out CSn: Ediff_ref = 0.453537974143 eV\n          RMSE            Model\n1D:\t0.135518\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.335\n2D:\t0.124277\t- 0.031 IP(A)+IP(B)/r_p(A)^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.277\n3D:\t0.123557\t- 0.018 IP(A)+IP(B)/r_p(A)^2 - 0.054 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.151 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.302"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.21481426] eV\nEdiff_predicted(2D) = [ 0.28708539] eV\nEdiff_predicted(3D) = [ 0.29474921] eV\n-----\nLeave out BeS: Ediff_ref = 0.506327674543 eV\n          RMSE            Model\n1D:\t0.137994\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.333\n2D:\t0.125593\t- 0.029 IP(A)+IP(B)/r_p(A)^2 + 0.164 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.273\n3D:\t0.124755\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.300"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.46849588] eV\nEdiff_predicted(2D) = [ 0.49439105] eV\nEdiff_predicted(3D) = [ 0.4933275] eV\n-----\nLeave out IRb: Ediff_ref = -0.16720144212 eV\n          RMSE            Model\n1D:\t0.137753\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125292\t- 0.115 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.168 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.321\n3D:\t0.124448\t- 0.015 IP(A)+IP(B)/r_p(A)^2 - 0.063 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.156 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.305"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.25037678] eV\nEdiff_predicted(2D) = [-0.26058299] eV\nEdiff_predicted(3D) = [-0.24856713] eV\n-----\nLeave out AlSb: Ediff_ref = 0.15686873396 eV\n          RMSE            Model\n1D:\t0.137751\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.334\n2D:\t0.125448\t- 0.030 IP(A)+IP(B)/r_p(A)^2 + 0.163 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.274\n3D:\t0.124620\t- 0.016 IP(A)+IP(B)/r_p(A)^2 - 0.058 IP(A)+IP(B)/(r_s(A)+r_p(A))^2 + 0.157 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.301"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [ 0.073795] eV\nEdiff_predicted(2D) = [ 0.10094469] eV\nEdiff_predicted(3D) = [ 0.1026443] eV\n-----\nLeave out SrTe: Ediff_ref = -0.379294725863 eV\n          RMSE            Model\n1D:\t0.136542\t- 0.055 IP(A)+IP(B)/r_p(A)^2 - 0.329\n2D:\t0.121080\t+ 1.175 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.199 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.232\n3D:\t0.116424\t- 0.018 IP(A)+IP(B)/r_p(A)^2 + 0.847 |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)) + 0.132 |IP(B)-EA(B)|/exp(r_p(A)^2) - 0.269"
-                        },
-                        {
-                            "type": "out",
-                            "value": "\nEdiff_predicted(1D) = [-0.19402872] eV\nEdiff_predicted(2D) = [-0.18073688] eV\nEdiff_predicted(3D) = [-0.1884968] eV\n-----\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "height": 13665,
-                "dataresult": "\nprint \"Descriptor selection frequency\"\nfor dim in dimensions:    \n    df = pd.DataFrame( Counter(features_count[dim-1]).most_common(10), columns=['Features', 'Frequency'] )\n    print '-----------------\n%sD:\n%s'%(dim,df)\n\n#Plot Prediction errors\nprediction_errors = np.linalg.norm(P-P_predict, axis=1)/np.sqrt(compounds)\nfor dim in dimensions:\n    predict = P_predict[dim-1]\n    if dim == 1:\n        maxi = max(max(P), max(predict))\n        mini = min(min(P), min(predict))\n        plt.plot([maxi,mini], [maxi,mini], 'k')\n    plt.scatter(P, predict, color=['b','r', 'g'][dim-1], label='%sD, RMSE = %.3f eV' %(dim,prediction_errors[dim-1]))\nplt.legend(loc='best')\nplt.show()\n",
-                "elapsedTime": 17104
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0,
+                "dataresult": "\nprint \"Descriptor selection frequency\"\nfor dim in dimensions:    \n    df = pd.DataFrame( Counter(features_count[dim-1]).most_common(10), columns=['Features', 'Frequency'] )\n    print '-----------------\n%sD:\n%s'%(dim,df)\n\n#Plot Prediction errors\nprediction_errors = np.linalg.norm(P-P_predict, axis=1)/np.sqrt(compounds)\nfor dim in dimensions:\n    predict = P_predict[dim-1]\n    if dim == 1:\n        maxi = max(max(P), max(predict))\n        mini = min(min(P), min(predict))\n        plt.plot([maxi,mini], [maxi,mini], 'k')\n    plt.scatter(P, predict, color=['b','r', 'g'][dim-1], label='%sD, RMSE = %.3f eV' %(dim,prediction_errors[dim-1]))\nplt.legend(loc='best')\nplt.show()\n"
             },
             "evaluatorReader": true,
-            "lineCount": 33
+            "lineCount": 31
         },
         {
             "id": "codefvaq33",
@@ -2370,6 +1697,7 @@
             "input": {
                 "body": [
                     "#Plot Prediction errors",
+                    "",
                     "prediction_errors = np.linalg.norm(P-P_predict, axis=1)/np.sqrt(compounds)",
                     "for dim in dimensions:",
                     "    predict = P_predict[dim-1]",
@@ -2379,20 +1707,19 @@
                     "        plt.plot([maxi,mini], [maxi,mini], 'k')",
                     "    plt.scatter(P, predict, color=['b','r', 'g'][dim-1], label='%sD, RMSE = %.3f eV' %(dim,prediction_errors[dim-1]))",
                     "plt.legend(loc='best')",
+                    "plt.xlabel('E_diff_DFT'), plt.ylabel('E_diff_predicted')",
                     "plt.show()"
                 ]
             },
             "output": {
                 "state": {},
-                "result": "<div class=\"output_subarea output_png\"><img 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86KNy+aUtA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\nSgAAAABJRU5ErkJggg==\n\"></div>",
                 "selectedType": "Html",
                 "pluginName": "IPython",
-                "shellId": "C52E2607E20544C788411157B4CD5289",
-                "elapsedTime": 523,
-                "height": 293
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 11
+            "lineCount": 13
         },
         {
             "id": "codewmBBoc",
@@ -2400,3778 +1727,546 @@
             "evaluator": "IPython",
             "input": {
                 "body": [
+                    "import pandas as pd",
+                    "pd.set_option('max_colwidth', 800)",
+                    "pd.set_option('display.expand_frame_repr', False)",
+                    "",
+                    "# Print descriptor selection frequency",
                     "print \"Descriptor selection frequency\"",
                     "for dim in dimensions:    ",
                     "    df = pd.DataFrame( Counter(features_count[dim-1]).most_common(10), columns=['Features', 'Frequency'] )",
                     "    print '-----------------\\n%sD:\\n%s'%(dim,df)",
                     "",
-                    "# display errors and models in a table",
+                    "# create table to display errors and models",
                     "feat = np.array(features_count).flatten('F')",
                     "Pred = np.array(P_predict).flatten('F')",
-                    "Pred_errors = np.abs(P-P_predict).flatten('F')",
-                    "Ref_values = [r for p in P for r in [p,'', ''] ]",
-                    "Mats = [m for mat in compounds_list for m in [mat, mat, mat] ]",
-                    "Dims = ['1D','2D','3D']*compounds",
-                    "",
-                    "df = pd.DataFrame(zip(Ref_values,Pred,Pred_errors,feat), index = [Mats,Dims], columns=['P_ref[eV]','P_pred[eV]','abs. error [eV]','Selected features'])",
-                    "#print df",
-                    "print display(df)"
-                ]
-            },
-            "output": {
-                "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "Descriptor selection frequency\n-----------------\n1D:\n                           Features  Frequency\n0           (IP(A)+IP(B)/r_p(A)^2,)         75\n1  (IP(A)+IP(B)/(r_s(A)+r_p(A))^2,)          3\n2           (EA(A)+IP(B)/r_p(A)^2,)          2\n3    (|IP(B)-EA(B)|/exp(r_p(A)^2),)          1\n4            (IP(B)/exp(r_p(A)^2),)          1\n-----------------\n2D:\n                                                          Features  Frequency\n0              (IP(A)+IP(B)/r_p(A)^2, |IP(B)-EA(B)|/exp(r_p(A)^2))         40\n1     (IP(A)+IP(B)/(r_s(A)+r_p(A))^2, |IP(B)-EA(B)|/exp(r_p(A)^2))         23\n2  (|IP(A)-EA(B)|/exp(r_p(A)+r_d(B)), |IP(B)-EA(B)|/exp(r_p(A)^2))         16\n3          (IP(A)+IP(B)/(r_s(A)+r_p(A))^2, |IP(B)-EA(B)|/r_p(A)^2)          1\n4            (IP(A)+IP(B)/(r_s(A)+r_p(A))^2, EA(A)+IP(B)/r_p(A)^2)          1\n5  (|IP(A)-EA(A)|/exp(r_p(A)+r_d(B)), |IP(B)-EA(B)|/exp(r_p(A)^2))          1\n-----------------\n3D:\n                                                                                Features  Frequency\n0     (IP(A)+IP(B)/r_p(A)^2, IP(A)+IP(B)/(r_s(A)+r_p(A))^2, |IP(B)-EA(B)|/exp(r_p(A)^2))         53\n1  (IP(A)+IP(B)/r_p(A)^2, |IP(A)-EA(B)|/exp(r_p(A)+r_d(B)), |IP(B)-EA(B)|/exp(r_p(A)^2))         16\n2            (IP(A)+IP(B)/r_p(A)^2, |IP(B)-EA(B)|/r_p(A)^2, |IP(B)-EA(B)|/exp(r_p(A)^2))          7\n3  (|IP(A)-EA(A)|/exp(r_p(A)+r_d(B)), IP(A)+IP(B)/r_p(A)^2, |IP(B)-EA(B)|/exp(r_p(A)^2))          2\n4            (IP(A)+IP(B)/r_p(A)^2, IP(A)+IP(B)/(r_s(A)+r_p(A))^2, EA(A)+IP(B)/r_p(A)^2)          1\n5   (IP(B)/exp(r_p(A)^2), |IP(A)-EA(A)|/exp(r_p(A)+r_d(B)), |IP(B)-EA(B)|/exp(r_p(A)^2))          1\n6          (IP(A)+IP(B)/r_p(A)^2, IP(A)+IP(B)/(r_s(A)+r_p(A))^2, |IP(B)-EA(B)|/r_p(A)^2)          1\n7     (IP(A)+IP(B)/(r_s(A)+r_p(A))^2, EA(A)+IP(B)/r_p(A)^2, |IP(B)-EA(B)|/exp(r_p(A)^2))          1\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "None\n"
-                        }
-                    ],
-                    "payload": {
-                        "columnNames": [
-                            "Index",
-                            "P_ref[eV]",
-                            "P_pred[eV]",
-                            "abs. error [eV]",
-                            "Selected features"
-                        ],
-                        "subtype": "TableDisplay",
-                        "values": [
-                            [
-                                [
-                                    "SeZn",
-                                    "1D"
-                                ],
-                                0.26313689928065287,
-                                0.15075501713083517,
-                                0.1123818821498177,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SeZn",
-                                    "2D"
-                                ],
-                                "",
-                                0.10408767606373043,
-                                0.15904922321692244,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SeZn",
-                                    "3D"
-                                ],
-                                "",
-                                0.09614296479241374,
-                                0.16699393448823913,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InSb",
-                                    "1D"
-                                ],
-                                0.07805987301981077,
-                                0.010430700721948793,
-                                0.06762917229786197,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InSb",
-                                    "2D"
-                                ],
-                                "",
-                                0.024267161497522838,
-                                0.05379271152228793,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InSb",
-                                    "3D"
-                                ],
-                                "",
-                                0.0262436064669945,
-                                0.051816266552816265,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CuI",
-                                    "1D"
-                                ],
-                                0.20467458326311316,
-                                0.05002565589327851,
-                                0.15464892736983465,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CuI",
-                                    "2D"
-                                ],
-                                "",
-                                0.003655216415296994,
-                                0.20101936684781618,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CuI",
-                                    "3D"
-                                ],
-                                "",
-                                -0.0017214765258616038,
-                                0.20639605978897477,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SZn",
-                                    "1D"
-                                ],
-                                0.27581332560657756,
-                                0.17034521532568908,
-                                0.10546811028088848,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SZn",
-                                    "2D"
-                                ],
-                                "",
-                                0.09354658624739562,
-                                0.18226673935918195,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SZn",
-                                    "3D"
-                                ],
-                                "",
-                                0.11807568523890133,
-                                0.15773764036767624,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BN",
-                                    "1D"
-                                ],
-                                1.7120802608362737,
-                                1.3035945137988982,
-                                0.4084857470373755,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BN",
-                                    "2D"
-                                ],
-                                "",
-                                1.548044888762232,
-                                0.16403537207404173,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BN",
-                                    "3D"
-                                ],
-                                "",
-                                1.5508932569894727,
-                                0.16118700384680107,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OSr",
-                                    "1D"
-                                ],
-                                -0.22030662317411043,
-                                -0.14037278049088256,
-                                0.07993384268322787,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OSr",
-                                    "2D"
-                                ],
-                                "",
-                                -0.16694362458865747,
-                                0.05336299858545296,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OSr",
-                                    "3D"
-                                ],
-                                "",
-                                -0.17513133440968193,
-                                0.0451752887644285,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrRb",
-                                    "1D"
-                                ],
-                                -0.16382053142297082,
-                                -0.24274968536589991,
-                                0.0789291539429291,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrRb",
-                                    "2D"
-                                ],
-                                "",
-                                -0.254991385235336,
-                                0.09117085381236517,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrRb",
-                                    "3D"
-                                ],
-                                "",
-                                -0.2433736028929855,
-                                0.0795530714700147,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaTe",
-                                    "1D"
-                                ],
-                                -0.37538680966827087,
-                                -0.20645395160035496,
-                                0.16893285806791591,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaTe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.1925321493235888,
-                                0.18285466034468206,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaTe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.20100616385225667,
-                                0.1743806458160142,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeSe",
-                                    "1D"
-                                ],
-                                0.4949404427752597,
-                                0.43611360324663845,
-                                0.05882683952862128,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeSe",
-                                    "2D"
-                                ],
-                                "",
-                                0.4479492377164868,
-                                0.04699120505877291,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeSe",
-                                    "3D"
-                                ],
-                                "",
-                                0.4347689250525012,
-                                0.06017151772275853,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgS",
-                                    "1D"
-                                ],
-                                -0.08669950498824619,
-                                -0.028290484952968098,
-                                0.05840902003527809,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgS",
-                                    "2D"
-                                ],
-                                "",
-                                -0.07112915360347809,
-                                0.015570351384768102,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgS",
-                                    "3D"
-                                ],
-                                "",
-                                -0.0632212755409576,
-                                0.023478229447288584,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaN",
-                                    "1D"
-                                ],
-                                0.4334452390939987,
-                                0.2710609560127196,
-                                0.16238428308127906,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaN",
-                                    "2D"
-                                ],
-                                "",
-                                0.42672587680422613,
-                                0.006719362289772546,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaN",
-                                    "3D"
-                                ],
-                                "",
-                                0.37504550324728203,
-                                0.05839973584671665,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrNa",
-                                    "1D"
-                                ],
-                                -0.12642872788273962,
-                                -0.18757753281419554,
-                                0.06114880493145591,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrNa",
-                                    "2D"
-                                ],
-                                "",
-                                -0.19469158849116647,
-                                0.06826286060842685,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrNa",
-                                    "3D"
-                                ],
-                                "",
-                                -0.2019905574980913,
-                                0.07556182961535168,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BP",
-                                    "1D"
-                                ],
-                                1.0192251611952088,
-                                1.113247384914104,
-                                0.09402222371889524,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BP",
-                                    "2D"
-                                ],
-                                "",
-                                1.1510030108272615,
-                                0.13177784963205275,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BP",
-                                    "3D"
-                                ],
-                                "",
-                                1.1349441878035342,
-                                0.11571902660832545,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClRb",
-                                    "1D"
-                                ],
-                                -0.1605035540778772,
-                                -0.23589987195133605,
-                                0.07539631787345885,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClRb",
-                                    "2D"
-                                ],
-                                "",
-                                -0.249993325740931,
-                                0.0894897716630538,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClRb",
-                                    "3D"
-                                ],
-                                "",
-                                -0.2387353824693668,
-                                0.0782318283914896,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgSe",
-                                    "1D"
-                                ],
-                                -0.05530180195637513,
-                                -0.041884204767444755,
-                                0.013417597188930375,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgSe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.08225654764534386,
-                                0.02695474568896873,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgSe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.07593747446757904,
-                                0.020635672511203906,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FK",
-                                    "1D"
-                                ],
-                                -0.1464060984981188,
-                                -0.11080937802036578,
-                                0.03559672047775303,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FK",
-                                    "2D"
-                                ],
-                                "",
-                                -0.148692438740857,
-                                0.0022863402427381885,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FK",
-                                    "3D"
-                                ],
-                                "",
-                                -0.16427732140602436,
-                                0.01787122290790555,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrLi",
-                                    "1D"
-                                ],
-                                -0.03274621288437629,
-                                -0.08502248714970942,
-                                0.05227627426533313,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrLi",
-                                    "2D"
-                                ],
-                                "",
-                                -0.13834996543750025,
-                                0.10560375255312396,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrLi",
-                                    "3D"
-                                ],
-                                "",
-                                -0.1264886438622566,
-                                0.09374243097788032,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BSb",
-                                    "1D"
-                                ],
-                                0.5808491143689025,
-                                1.0327850310079163,
-                                0.4519359166390138,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BSb",
-                                    "2D"
-                                ],
-                                "",
-                                1.0145028211930622,
-                                0.4336537068241597,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BSb",
-                                    "3D"
-                                ],
-                                "",
-                                0.9598292018572339,
-                                0.37898008748833134,
-                                [
-                                    "|IP(A)-EA(A)|/exp(r_p(A)+r_d(B))",
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgTe",
-                                    "1D"
-                                ],
-                                -0.004591286648064852,
-                                -0.05935249040334606,
-                                0.05476120375528121,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgTe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.09670621442054789,
-                                0.09211492777248304,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgTe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.0922855466419769,
-                                0.08769425999391205,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSn",
-                                    "1D"
-                                ],
-                                0.08166336023714393,
-                                0.11731681383632336,
-                                0.03565345359917943,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSn",
-                                    "2D"
-                                ],
-                                "",
-                                0.1482077713071261,
-                                0.06654441106998216,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSn",
-                                    "3D"
-                                ],
-                                "",
-                                0.151558355038813,
-                                0.06989499480166905,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSi",
-                                    "1D"
-                                ],
-                                0.263210170178354,
-                                0.29699847224837655,
-                                0.033788302070022536,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSi",
-                                    "2D"
-                                ],
-                                "",
-                                0.3859780139690557,
-                                0.12276784379070166,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GeSi",
-                                    "3D"
-                                ],
-                                "",
-                                0.36916764066184293,
-                                0.10595747048348891,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaTe",
-                                    "1D"
-                                ],
-                                -0.35045627907675225,
-                                -0.16203822455610858,
-                                0.18841805452064367,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaTe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.15606928151715715,
-                                0.1943869975595951,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaTe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.1604809062005757,
-                                0.18997537287617655,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClK",
-                                    "1D"
-                                ],
-                                -0.1644606802110502,
-                                -0.16236946068218513,
-                                0.002091219528865068,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClK",
-                                    "2D"
-                                ],
-                                "",
-                                -0.21442169074788348,
-                                0.04996101053683327,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClK",
-                                    "3D"
-                                ],
-                                "",
-                                -0.19707523313392644,
-                                0.03261455292287624,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
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-                                -0.09299855386780109,
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-                                0.06534735706983363,
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-                                ],
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-                                -0.2083666648949893,
-                                0.11536811102718822,
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-                                ],
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-                                -0.1946282696726691,
-                                0.10162971580486801,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
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-                                ]
-                            ],
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-                                ],
-                                -0.15586730299401097,
-                                -0.24213268097829002,
-                                0.08626537798427905,
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-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
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-                                    "BrCs",
-                                    "2D"
-                                ],
-                                "",
-                                -0.2606850069706735,
-                                0.10481770397666251,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
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-                                ]
-                            ],
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-                                ],
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-                                -0.24668865851760152,
-                                0.09082135552359055,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
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-                                ]
-                            ],
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-                                ],
-                                -0.10826331867428962,
-                                -0.20482227386986826,
-                                0.09655895519557864,
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-                                ],
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-                                ],
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-                                ]
-                            ],
-                            [
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-                                ],
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-                                0.0782860496108394,
-                                0.07415659017736587,
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-                                ],
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-                                ],
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-                                0.10641394625998277,
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-                                ]
-                            ],
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-                                ],
-                                0.8114428802000475,
-                                0.41605668261594536,
-                                0.39538619758410215,
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-                                ],
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-                                0.27824192095168887,
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-                            ],
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-                                ],
-                                "",
-                                0.5805244022185156,
-                                0.23091847798153187,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
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-                                ]
-                            ],
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-                                ],
-                                -0.021660936341504566,
-                                -0.10474638300303268,
-                                0.08308544666152812,
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-                            ],
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-                                ],
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-                                -0.15431150109987418,
-                                0.13265056475836962,
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-                                ]
-                            ],
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-                                    "ILi",
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-                                ],
-                                "",
-                                -0.1422720814246235,
-                                0.12061114508311893,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
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-                                ]
-                            ],
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-                                ],
-                                -0.059488316863735236,
-                                0.009905525772004098,
-                                0.06939384263573933,
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-                            ],
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-                                ],
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-                                -0.04503785302350325,
-                                0.014450463840231985,
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-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "3D"
-                                ],
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-                                -0.04955294251156825,
-                                0.009935374352166987,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CuF",
-                                    "1D"
-                                ],
-                                -0.017022272342728684,
-                                0.3748617000333072,
-                                0.3918839723760359,
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-                                    "EA(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CuF",
-                                    "2D"
-                                ],
-                                "",
-                                0.2264103829871889,
-                                0.2434326553299176,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
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-                                    "CuF",
-                                    "3D"
-                                ],
-                                "",
-                                0.25444611878158074,
-                                0.2714683911243094,
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-                                    "EA(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FNa",
-                                    "1D"
-                                ],
-                                -0.14578813778780386,
-                                -0.13104841462162983,
-                                0.014739723166174029,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FNa",
-                                    "2D"
-                                ],
-                                "",
-                                -0.16318630022499936,
-                                0.017398162437195497,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "FNa",
-                                    "3D"
-                                ],
-                                "",
-                                -0.16249983689623929,
-                                0.016711699108435424,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
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-                                    "C2",
-                                    "1D"
-                                ],
-                                2.628603639133644,
-                                1.676269194751174,
-                                0.9523344443824697,
-                                [
-                                    "IP(B)/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "C2",
-                                    "2D"
-                                ],
-                                "",
-                                2.004379329975119,
-                                0.6242243091585249,
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-                                    "|IP(A)-EA(A)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "C2",
-                                    "3D"
-                                ],
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-                                1.9716796849846028,
-                                0.656923954149041,
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-                                    "|IP(A)-EA(A)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgBr",
-                                    "1D"
-                                ],
-                                -0.03003341671137605,
-                                -0.008625857599109832,
-                                0.021407559112266217,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgBr",
-                                    "2D"
-                                ],
-                                "",
-                                -0.0583843195828342,
-                                0.028350902871458153,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgBr",
-                                    "3D"
-                                ],
-                                "",
-                                -0.04859291859842152,
-                                0.01855950188704547,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "MgO",
-                                    "1D"
-                                ],
-                                -0.23227472431699425,
-                                0.04535181474255828,
-                                0.27762653905955254,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
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-                                    "MgO",
-                                    "2D"
-                                ],
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-                                0.09853451622601678,
-                                0.33080924054301103,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2"
-                                ]
-                            ],
-                            [
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-                                    "3D"
-                                ],
-                                "",
-                                0.09109887065081701,
-                                0.32337359496781126,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2"
-                                ]
-                            ],
-                            [
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-                                    "FRb",
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-                                ],
-                                -0.13559577698470093,
-                                -0.20602950410010648,
-                                0.07043372711540555,
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-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
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-                                    "FRb",
-                                    "2D"
-                                ],
-                                "",
-                                -0.22847221751730726,
-                                0.09287644053260632,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                ],
-                                "",
-                                -0.2188472312323513,
-                                0.08325145424765037,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
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-                                    "AlN",
-                                    "1D"
-                                ],
-                                0.07294907316963872,
-                                0.3863584753122066,
-                                0.31340940214256785,
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-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "AlN",
-                                    "2D"
-                                ],
-                                "",
-                                0.3098671672806199,
-                                0.2369180941109812,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "AlN",
-                                    "3D"
-                                ],
-                                "",
-                                0.3296374677279463,
-                                0.25668839455830755,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "Si2",
-                                    "1D"
-                                ],
-                                0.27916582154830394,
-                                0.339546480618584,
-                                0.06038065907028006,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "Si2",
-                                    "2D"
-                                ],
-                                "",
-                                0.4170263653678212,
-                                0.13786054381951723,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
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-                                    "Si2",
-                                    "3D"
-                                ],
-                                "",
-                                0.40564171013765093,
-                                0.126475888589347,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SiSn",
-                                    "1D"
-                                ],
-                                0.1351087991060922,
-                                0.12259476388283252,
-                                0.012514035223259667,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
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-                                    "2D"
-                                ],
-                                "",
-                                0.15460769821840303,
-                                0.01949889911231084,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SiSn",
-                                    "3D"
-                                ],
-                                "",
-                                0.1582679569068775,
-                                0.023159157800785313,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "ClLi",
-                                    "1D"
-                                ],
-                                -0.03838148269915109,
-                                -0.06737773621669169,
-                                0.028996253517540593,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
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-                                    "ClLi",
-                                    "2D"
-                                ],
-                                "",
-                                -0.12421013337412998,
-                                0.08582865067497888,
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-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClLi",
-                                    "3D"
-                                ],
-                                "",
-                                -0.11256306965330465,
-                                0.07418158695415356,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "ClNa",
-                                    "1D"
-                                ],
-                                -0.13299198508138943,
-                                -0.1770198408639989,
-                                0.04402785578260948,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
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-                                    "2D"
-                                ],
-                                "",
-                                -0.18881172962083198,
-                                0.05581974453944255,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
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-                                    "ClNa",
-                                    "3D"
-                                ],
-                                "",
-                                -0.19456368337112262,
-                                0.06157169828973319,
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-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
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-                                    "1D"
-                                ],
-                                0.13404757519310806,
-                                0.029460564827793356,
-                                0.1045870103653147,
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-                            ],
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-                                ],
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-                                0.08598373508999363,
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-                            ],
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-                                0.05136670669846172,
-                                0.08268086849464634,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OZn",
-                                    "1D"
-                                ],
-                                0.10196817676842329,
-                                0.4124084648117012,
-                                0.3104402880432779,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OZn",
-                                    "2D"
-                                ],
-                                "",
-                                0.3278648406021166,
-                                0.22589666383369333,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "OZn",
-                                    "3D"
-                                ],
-                                "",
-                                0.3065339408162366,
-                                0.2045657640478133,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaSe",
-                                    "1D"
-                                ],
-                                -0.3607977344217943,
-                                -0.15067269803457845,
-                                0.21012503638721586,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaSe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.17723492248956496,
-                                0.18356281193222934,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CaSe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.1719737401748319,
-                                0.1888239942469624,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdO",
-                                    "1D"
-                                ],
-                                -0.08416135802690405,
-                                0.22822732902837645,
-                                0.3123886870552805,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdO",
-                                    "2D"
-                                ],
-                                "",
-                                0.13705523742693448,
-                                0.22121659545383854,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdO",
-                                    "3D"
-                                ],
-                                "",
-                                0.12299167548942505,
-                                0.2071530335163291,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InP",
-                                    "1D"
-                                ],
-                                0.17919328722928185,
-                                0.041049573484470026,
-                                0.13814371374481182,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InP",
-                                    "2D"
-                                ],
-                                "",
-                                0.061067270369104754,
-                                0.1181260168601771,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InP",
-                                    "3D"
-                                ],
-                                "",
-                                0.06520828937751655,
-                                0.1139849978517653,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "Sn2",
-                                    "1D"
-                                ],
-                                0.01696389919379726,
-                                0.10179315082005341,
-                                0.08482925162625615,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "Sn2",
-                                    "2D"
-                                ],
-                                "",
-                                0.12327915543299786,
-                                0.1063152562392006,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "Sn2",
-                                    "3D"
-                                ],
-                                "",
-                                0.12594297403489163,
-                                0.10897907484109437,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SSr",
-                                    "1D"
-                                ],
-                                -0.3684341299303924,
-                                -0.17767313088932604,
-                                0.19076099904106633,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SSr",
-                                    "2D"
-                                ],
-                                "",
-                                -0.20283026496150935,
-                                0.16560386496888302,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "SSr",
-                                    "3D"
-                                ],
-                                "",
-                                -0.19896553943513637,
-                                0.169468590495256,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InN",
-                                    "1D"
-                                ],
-                                0.15372029269929044,
-                                0.1366936749698628,
-                                0.01702661772942765,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InN",
-                                    "2D"
-                                ],
-                                "",
-                                0.18075790227903013,
-                                0.02703760957973969,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "InN",
-                                    "3D"
-                                ],
-                                "",
-                                0.19194050018662817,
-                                0.03822020748733773,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaSe",
-                                    "1D"
-                                ],
-                                -0.3434451340872329,
-                                -0.1983423831592127,
-                                0.14510275092802016,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaSe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.20526289554641663,
-                                0.13818223854081624,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BaSe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.20751041091407668,
-                                0.1359347231731562,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrK",
-                                    "1D"
-                                ],
-                                -0.16617596419382608,
-                                -0.1741621582400534,
-                                0.00798619404622733,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrK",
-                                    "2D"
-                                ],
-                                "",
-                                -0.2218496699205452,
-                                0.05567370572671912,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BrK",
-                                    "3D"
-                                ],
-                                "",
-                                -0.2046012845233215,
-                                0.038425320329495416,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlAs",
-                                    "1D"
-                                ],
-                                0.21326184910867596,
-                                0.09606994813852071,
-                                0.11719190097015525,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlAs",
-                                    "2D"
-                                ],
-                                "",
-                                0.13156608186429392,
-                                0.08169576724438204,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlAs",
-                                    "3D"
-                                ],
-                                "",
-                                0.134445631074246,
-                                0.07881621803442995,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeTe",
-                                    "1D"
-                                ],
-                                0.4685859104938572,
-                                0.39524076967088767,
-                                0.07334514082296956,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeTe",
-                                    "2D"
-                                ],
-                                "",
-                                0.3879374407603452,
-                                0.08064846973351203,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "BeTe",
-                                    "3D"
-                                ],
-                                "",
-                                0.36791816159206725,
-                                0.10066774890178998,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdS",
-                                    "1D"
-                                ],
-                                0.07267279591178522,
-                                0.05726910187551659,
-                                0.015403694036268623,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdS",
-                                    "2D"
-                                ],
-                                "",
-                                0.0046229286626815885,
-                                0.06804986724910363,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdS",
-                                    "3D"
-                                ],
-                                "",
-                                0.019838439356418852,
-                                0.05283435655536636,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdTe",
-                                    "1D"
-                                ],
-                                0.11453953219461255,
-                                0.021094348120976214,
-                                0.09344518407363633,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdTe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.0296646977594857,
-                                0.14420422995409826,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdTe",
-                                    "3D"
-                                ],
-                                "",
-                                -0.018484687395648347,
-                                0.1330242195902609,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "TeZn",
-                                    "1D"
-                                ],
-                                0.24500129517400637,
-                                0.12587239118276383,
-                                0.11912890399124254,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "TeZn",
-                                    "2D"
-                                ],
-                                "",
-                                0.07569601440567396,
-                                0.1693052807683324,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "TeZn",
-                                    "3D"
-                                ],
-                                "",
-                                0.0635873250314174,
-                                0.18141397014258898,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaP",
-                                    "1D"
-                                ],
-                                0.3487517977519019,
-                                0.15117199932103093,
-                                0.19757979843087098,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaP",
-                                    "2D"
-                                ],
-                                "",
-                                0.2357322690597658,
-                                0.1130195286921361,
-                                [
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "GaP",
-                                    "3D"
-                                ],
-                                "",
-                                0.20742887413456004,
-                                0.14132292361734186,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(A)-EA(B)|/exp(r_p(A)+r_d(B))",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdSe",
-                                    "1D"
-                                ],
-                                0.0835719490860356,
-                                0.041443711466448485,
-                                0.04212823761958712,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdSe",
-                                    "2D"
-                                ],
-                                "",
-                                -0.010186540718523679,
-                                0.09375848980455928,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "CdSe",
-                                    "3D"
-                                ],
-                                "",
-                                0.00323847848548639,
-                                0.08033347060054921,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "INa",
-                                    "1D"
-                                ],
-                                -0.11483822218724526,
-                                -0.19941690349898578,
-                                0.08457868131174051,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "INa",
-                                    "2D"
-                                ],
-                                "",
-                                -0.21728008650238503,
-                                0.10244186431513977,
-                                [
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "INa",
-                                    "3D"
-                                ],
-                                "",
-                                -0.2104381107448532,
-                                0.09559988855760793,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlP",
-                                    "1D"
-                                ],
-                                0.2189583414756271,
-                                0.11014288630864832,
-                                0.10881545516697877,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlP",
-                                    "2D"
-                                ],
-                                "",
-                                0.1488586251055772,
-                                0.07009971637004989,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AlP",
-                                    "3D"
-                                ],
-                                "",
-                                0.15255399847549536,
-                                0.06640434300013173,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "IP(A)+IP(B)/(r_s(A)+r_p(A))^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgCl",
-                                    "1D"
-                                ],
-                                -0.04279727820539847,
-                                0.011356247299312228,
-                                0.0541535255047107,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgCl",
-                                    "2D"
-                                ],
-                                "",
-                                -0.042423122361295966,
-                                0.0003741558441025042,
-                                [
-                                    "IP(A)+IP(B)/r_p(A)^2",
-                                    "|IP(B)-EA(B)|/exp(r_p(A)^2)"
-                                ]
-                            ],
-                            [
-                                [
-                                    "AgCl",
-                                    "3D"
-                                ],
-                                "",
-                                -0.030221994315818956,
-                                0.012575283889579514,
-                                [
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-                                0.09501098347268175,
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-                    "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PmmsPJ6ouZjFnoIdGfis_3AHs9clP.json',",
-                    "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PQESlzgesuFywpq09x-vZ0gikcjPf.json',",
-                    "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PKfJHS4WQGppgde2dACUjMuVoL2sB.json',",
-                    "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PcEzW227FYLGI2t3jk-gLCgcEZWZe.json',",
-                    "'/parsed/prod-022/FhiAimsParser2.0.0-2-gf9335c4/RWApItBGtGUDsfMVlHKqrjUQ4rShT/P36pL30yblwhze_vHZYZ_cybqeH4V.json'",
+                    "Pred_errors = np.abs(P-P_predict).flatten('F')",
+                    "Ref_values = [r for p in P for r in [p,p,p] ]",
+                    "Mats = [m for mat in compounds_list for m in [mat, mat, mat] ]",
+                    "Dims = ['1D','2D','3D']*compounds",
+                    "",
+                    "df = pd.DataFrame(zip(Ref_values,Pred,Pred_errors,feat), index = [Mats,Dims], columns=['P_ref[eV]','P_pred[eV]','abs. error [eV]','Selected features'])",
+                    "",
+                    "#display df",
+                    "df"
+                ]
+            },
+            "output": {
+                "state": {},
+                "selectedType": "Results",
+                "pluginName": "IPython",
+                "shellId": "4B35956E29D047B389A3AA6E8297BBBD",
+                "height": 0
+            },
+            "evaluatorReader": true,
+            "lineCount": 22
+        },
+        {
+            "id": "sectionfRKpnp",
+            "type": "section",
+            "title": "The SISSO for classification",
+            "level": 1,
+            "evaluatorReader": false,
+            "collapsed": true
+        },
+        {
+            "id": "markdownaMBdRz",
+            "type": "markdown",
+            "body": [
+                "<summary>",
+                "<li>Run the SISSO code for classification.</li>",
+                "<li>Visualize the descriptor in an interactive 2D structure map.</li>",
+                "</summary>"
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "codeAf6NYD",
+            "type": "code",
+            "evaluator": "JavaScript",
+            "input": {
+                "body": [
+                    "// 'Import' relevant functions from chapters before",
+                    "var functions_list = [\"get_descriptors\"];",
+                    "var n_functions = functions_list.length",
+                    "var i;",
+                    "for (i = 0; i < n_functions; i++) {",
+                    "    beaker.evaluate(functions_list[i]);",
+                    "    beaker.print('import '+functions_list[i]);",
+                    "}"
+                ]
+            },
+            "output": {
+                "state": {},
+                "selectedType": "Results",
+                "pluginName": "JavaScript",
+                "height": 0
+            },
+            "evaluatorReader": true,
+            "lineCount": 8
+        },
+        {
+            "id": "markdownsqBNI0",
+            "type": "markdown",
+            "body": [
+                "We will now solve a classification task using the SISSO. The target is to determine  which of the five structures  RS, ZB, CsCl, NiAs or CrB is the the lowest energy structure for a given compound. We, again, declare the relevant paths to the json files, acces them via the class 'NOMADStructure' and write a function 'get_data_for_classification', which creates the data needed for the compressed sensing afterwards. ",
+                "This time the paths to the json files are ordered by their crystal structure, i.e. there is for each of the five structures a separate list of paths. We will save these lists in the dictionary 'json_dict'.:"
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "codeKdr1AP",
+            "type": "code",
+            "evaluator": "IPython",
+            "input": {
+                "body": [
+                    "json_list_RS = [ ",
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+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Pp4wUDDucIEdS9euDT89Y6xQA_JPq.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Pd5Tx2nPg7dFY-jys9XwKne6OQtKX.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PyukHM_doowQLr1Ipwa8feMxPVmI2.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PHiW0XWZCN8j4FL20b8tZzv7Vz59s.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PnhDURE4i9Q5yUaSUbEmarpPFd-oP.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Phw2RDlr8RJrjY8nb2PfCE6Bf--N0.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PxJnNtspUIcqGhneVuSJKposdVxH_.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Pl7aTuAjyxpsJM7vLAOVHYwJm-QE6.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PvkvzEExTn8uE2HYyp39OAr0XeTVs.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/P5q6OPnbkCI9OZnxRMmigkwjECTEe.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Pq_S1pMWXyVEwLQtS_CRQLruINQc7.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PN0Q_OXA7e5yO6EkDKkOpGHM6hyCj.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/P49a5P12dU5LYRyFCHIIWWy_T06lE.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/Ph7OdXYR4ndMpTcR0zX4mqRoBZpP9.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/PAlWHa4oJtvotPEJZkbrlNC_sn0h2.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RWApItBGtGUDsfMVlHKqrjUQ4rShT/P-R6dmrIaT8iFyy2ObACxIHGWnNOy.json',",
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                     "]",
                     "",
                     "json_list_ZB = [",
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+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/P1n6wAD8biF9V2jxg108exDWyimBC.json',",
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+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/PPNfqOn3-H1S-OkwjTCUA3-2xOE6J.json',",
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+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/PIpmcuIBHiIJC4Lqs2R0sv9qyvL-u.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/Pdcr6Adm1jZz-oisSZdbBH1Qwq7nF.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/PY7l7lhAx7h9mjAMHhGVBrlNfHUXL.json',",
+                    "'/parsed/production/FhiAimsParser2.0.0-17-g1384da3/RtWXnFiiVtrVb-3TOz9-k-ogZr2-t/PhVVJJOydBaE8d2tVngRXEYiX0520.json'",
                     "]",
                     "",
                     "json_dict = dict(zip(['RS', 'ZB', 'CsCl', 'NiAs', 'CrB'],[json_list_RS, json_list_ZB, json_list_CsCl, json_list_NiAs, json_list_CrB]))"
-                ],
-                "hidden": true
+                ]
             },
             "output": {
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 571
+                "shellId": "769AC1053A474D139637EBFAD311D374"
             },
             "evaluatorReader": true,
             "lineCount": 428
         },
+        {
+            "id": "markdownwHVm7G",
+            "type": "markdown",
+            "body": [
+                "Load the structures into the dictionary 'nomad_structure_dict' using the 'NOMADStructure' class."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "code9DNMj4",
             "type": "code",
@@ -6180,19 +2275,26 @@
                 "body": [
                     "from nomad_sim.nomad_structures import NOMADStructure",
                     "",
-                    "nomad_structure_dict = {struc_name: [NOMADStructure(in_file=json_path, file_format='NOMAD', take_first='False') for json_path in json_list] for struc_name, json_list in json_dict.iteritems()}"
+                    "nomad_structure_dict = {struc_name: [NOMADStructure(in_file=json_path, file_format='NOMAD', take_first=False) for json_path in json_list] for struc_name, json_list in json_dict.iteritems()}"
                 ]
             },
             "output": {
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 7548
+                "shellId": "769AC1053A474D139637EBFAD311D374"
             },
             "evaluatorReader": true,
             "lineCount": 3
         },
+        {
+            "id": "markdownHqjyzb",
+            "type": "markdown",
+            "body": [
+                "In the following, the function 'get_data_for_classification' is defined to provide the arrays needed for the compressed sensing. It ranks the five structures by their energies and keeps only the one with the minimum energy for each compound. Since the function is quite technical you can ignore it (but click run)."
+            ],
+            "evaluatorReader": false
+        },
         {
             "id": "codebFz4WW",
             "type": "code",
@@ -6202,11 +2304,10 @@
                     "from nomad_sim.utils_binaries import get_chemical_formula_binaries",
                     "import pandas as pd",
                     "from itertools import product",
-                    "compound_to_min_struc_dict= {'BaTe': 'RS', 'CsF': 'RS', 'ClLi': 'RS', 'CSn': 'ZB', 'BN': 'ZB', 'CdS': 'ZB', 'MgO': 'RS', 'ClCu': 'ZB', 'ClNa': 'RS', 'BeSe': 'ZB', 'MgS': 'RS', 'BrK': 'RS', 'AlAs': 'ZB', 'BP': 'ZB', 'MgSe': 'RS', 'SiSn': 'ZB', 'CdSe': 'ZB', 'BSb': 'ZB', 'FLi': 'RS', 'AsIn': 'ZB', 'CsI': 'CsCl', 'CaTe': 'RS', 'BeO': 'ZB', 'Sn2': 'ZB', 'AsB': 'ZB', 'INa': 'RS', 'ILi': 'NiAs', 'GeSi': 'ZB', 'ClCs': 'CsCl', 'CSi': 'ZB', 'CuF': 'CrB', 'AgCl': 'NiAs', 'InSb': 'ZB', 'SeSr': 'RS', 'AgBr': 'NiAs', 'TeZn': 'ZB', 'CuI': 'ZB', 'AlN': 'ZB', 'AsGa': 'ZB', 'GaSb': 'ZB', 'Si2': 'ZB', 'BaO': 'RS', 'C2': 'ZB', 'ClK': 'RS', 'CdO': 'RS', 'InP': 'ZB', 'InN': 'ZB', 'BaSe': 'RS', 'BrCu': 'ZB', 'ClRb': 'RS', 'BeTe': 'ZB', 'BeS': 'ZB', 'CdTe': 'ZB', 'BrLi': 'RS', 'BrRb': 'CsCl', 'GaP': 'ZB', 'MgTe': 'NiAs', 'AlP': 'ZB', 'BrNa': 'RS', 'CaSe': 'RS', 'CGe': 'ZB', 'Ge2': 'ZB', 'FK': 'RS', 'AgI': 'ZB', 'GaN': 'ZB', 'CaS': 'RS', 'AgF': 'CrB', 'IK': 'RS', 'FNa': 'RS', 'OZn': 'ZB', 'OSr': 'RS', 'BaS': 'RS', 'SZn': 'ZB', 'SSr': 'RS', 'BrCs': 'CsCl', 'GeSn': 'ZB', 'CaO': 'RS', 'IRb': 'CsCl', 'SeZn': 'ZB', 'FRb': 'RS', 'AlSb': 'ZB', 'SrTe': 'RS'}",
-                    "Structures_names = ['ZB', 'RS', 'CsCl', 'NiAs', 'CrB']",
+                    "Structure_names = ['ZB', 'RS', 'CsCl', 'NiAs', 'CrB']",
                     "",
                     "def get_data_for_classification(selected_feature_list):",
-                    "    nomad_structure_list_2 = [json_path for json_list in nomad_structure_dict.values() for json_path in json_list]",
+                    "    nomad_structure_list_2 = [nomad_structure_dict[struc][n] for struc, n in product(Structure_names, range(82))]",
                     "    kwargs = {",
                     "              'nomad_structure_list': nomad_structure_list_2,",
                     "              'selected_feature_list': selected_feature_list,",
@@ -6216,28 +2317,46 @@
                     "              'energy_unit': 'eV',",
                     "              'length_unit': 'angstrom'                ",
                     "             }",
-                    "",
                     "    df_desc = get_descriptors(**kwargs)",
                     "    ",
-                    "    K = {}",
-                    "    for struc, n in product(Structures_names, range(82)):",
-                    "        nomad_structure = nomad_structure_dict[struc][n]",
-                    "        chemical_formula = get_chemical_formula_binaries(nomad_structure.atoms[0,0])",
-                    "        json_path = nomad_structure.in_file",
-                    "        if compound_to_min_struc_dict[chemical_formula] == struc:",
-                    "            K.update({chemical_formula:[struc,json_path]})",
-                    "            ",
-                    "    df_P = pd.DataFrame(K, index = ['structure','json_path']).transpose()",
-                    "    df_P['structure'] = pd.Categorical(df_P['structure'], categories=Structures_names, ordered=True)",
-                    "    df_P = df_P.sort('structure')",
-                    "    compound_list = df_P.index.tolist()",
+                    "    # create data frame",
+                    "    json_paths = [nomad_structure_dict[struc][n].in_file for struc, n in product(Structure_names, range(82))]",
+                    "    structures =  [struc for struc, n in product(Structure_names, range(82))]",
+                    "    chemical_formula_list = [get_chemical_formula_binaries(nomad_structure_dict[struc][n].atoms[0,0]) for struc, n in product(Structure_names, range(82))]",
+                    "    energy_list = [nomad_structure_dict[struc][n].energy_total__eV[0,0] / len(nomad_structure_dict[struc][n].atoms[0,0]) for struc, n in product(Structure_names, range(82))]",
+                    "    space_group_list = [nomad_structure_dict[struc][n].spacegroup_analyzer[0,0].get_space_group_number() for struc, n in product(Structure_names, range(82))]",
+                    "    data = zip(chemical_formula_list, energy_list, structures, json_paths)",
+                    "    df_P = pd.DataFrame(data, columns = ['chemical_formula', 'energy','structure', 'json_path'])",
                     "    ",
-                    "    df_desc = df_desc.reindex(compound_list)    ",
-                    "    P = [ df_P[df_P['structure']==s].index.tolist() for s in Structures_names]",
+                    "    # keep only lowest energy structure per compound and sort by structure",
+                    "    df_P =  df_P.sort_values(by='energy').groupby(['chemical_formula'], as_index=True).first()    ",
+                    "    df_P['structure'] = pd.Categorical(df_P['structure'], categories=Structure_names, ordered=True)",
+                    "    df_P = df_P.sort_values('structure')",
                     "    ",
-                    "    D = df_desc.values",
+                    "    # outputs: P is list of integers were each integere stands for class/structure_name",
+                    "    P = [i_class for  struc in df_P['structure'].tolist() for i_class, structure_name in enumerate(Structure_names) if struc == structure_name]",
+                    "    compound_list = df_P.index.tolist()    ",
+                    "    df_desc = df_desc.reindex(compound_list) ",
+                    "    D = df_desc.values   ",
                     "    feature_list = df_desc.columns.tolist()",
                     "    json_paths = df_P['json_path'].tolist()",
+                    "",
+                    "    # replace long names by short names in the feature list",
+                    "    longname = [feature.split('(', 1)[0] for feature in feature_list]",
+                    "        ",
+                    "    # in for lop to allow exception",
+                    "    shortname = []",
+                    "    for feature in longname:",
+                    "        try:",
+                    "            shortname.append(metadata_info[str(feature)]['shortname'])",
+                    "        except:",
+                    "            shortname.append(feature)",
+                    "",
+                    "    shortnames_dict = dict(zip(longname, shortname))",
+                    "        ",
+                    "    for fullname, shortname in shortnames_dict.items():",
+                    "        feature_list = [item.replace(fullname.lower(), shortname) for item in feature_list]",
+                    "",
                     "    return P, D,feature_list, compound_list, json_paths"
                 ]
             },
@@ -6245,8 +2364,7 @@
                 "state": {},
                 "selectedType": "Hidden",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 633,
+                "shellId": "769AC1053A474D139637EBFAD311D374",
                 "height": 122,
                 "dataresult": [
                     [
@@ -7192,7 +3310,57 @@
                 ]
             },
             "evaluatorReader": true,
-            "lineCount": 40
+            "lineCount": 57
+        },
+        {
+            "id": "markdown5Rqt2r",
+            "type": "markdown",
+            "body": [
+                "Now, the target property is filled with integers representing the structure types:"
+            ],
+            "evaluatorReader": false
+        },
+        {
+            "id": "code2xYgpo",
+            "type": "code",
+            "evaluator": "IPython",
+            "input": {
+                "body": [
+                    "selected_feature_list = ['atomic_rs_max', 'atomic_rp_max','atomic_rd_max']",
+                    "P, D, feature_list, compound_list, json_paths = get_data_for_classification(selected_feature_list)",
+                    "print np.array(P)",
+                    "print np.array(Structure_names)[P]",
+                    "print np.array(compound_list)"
+                ]
+            },
+            "output": {
+                "state": {},
+                "selectedType": "Results",
+                "pluginName": "IPython",
+                "shellId": "AE14887BDDCE4C8B8708CA8A0D625B4A",
+                "height": 0
+            },
+            "evaluatorReader": true,
+            "lineCount": 5
+        },
+        {
+            "id": "markdownysGoZz",
+            "type": "markdown",
+            "body": [
+                "In the following, you can specify  the primary features, the arithmetic operations for the feature construction and some further parameters needed for the SISSO code:",
+                "",
+                "<ul>",
+                "<li> 'rung': Number of iterations for the construction of the feature space: How often the selected operations are applied to build the feature space. At each step the operations are applied on all features created until the current step. </li>",
+                "<li> 'desc_dim': Dimension of optimal descriptor: Number of SIS iterations. (at the moment only 2D available)</li>",
+                "<li> 'subs_sis' : Number of collected features per SIS iteration.</li>",
+                "<li> 'ptype': 'quali' for classification and 'quanti' for regression.</li>",
+                "</ul>    ",
+                "",
+                "As the derived features are created by the SISSO code, 'allowed_operations' is specified in 'SIS_parameters', now. Thus, we will pass only a descriptor matrix $\\mathbf{D}$ of primary features to the SISSO code. Note that the SISSO code will not be declared in the notebook.  Instead, we will import and use the class SIS which will create the files needed by the SIS+$\\ell_0$ code and let the calculations run on a remote system. ",
+                "",
+                "Specify your settings and click 'CALCULATE' ('Run' is not needed). This will run all cells below performing the SISSO and generating a 2D structure map with the found 2D descriptor. Afterwards you can view the 2D map by clicking 'View interactive 2D scatter plot'. Note the 'Number of samples in overlap regions' in the SISSO output (three cells after this) and investigate if the parameter 'subs_sis' influences the results. You do not need to investigate codes."
+            ],
+            "evaluatorReader": false
         },
         {
             "id": "codeLCPOGS",
@@ -7201,16 +3369,19 @@
             "input": {
                 "body": [
                     "<script>",
-                    "var run_lasso = function() {",
+                    "var run_sis = function() {",
                     "  $(\"#sis_result_button\").removeClass(\"active\").addClass(\"disabled\");",
                     "  beaker.evaluate(\"calc_SIS_cell\"); // evaluate cells with tag \"lasso_cell\"",
-                    " // view_result()",
+                    "beaker.view_result = function(result_link) {",
+                    "    $(\"#sis_result_button\").attr(\"href\", result_link);",
+                    "  $(\"#sis_result_button\").removeClass(\"disabled\").addClass(\"active\");",
+                    "}",
                     "};",
                     "</script>",
                     "",
                     "<div class=\"sis_plot\">",
                     "  <p style=\"margin-top: 1ex;\"></p>",
-                    "  <button class=\"btn btn-default\" onclick='run_lasso()' style=\"font-weight: bold;\">RUN</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;",
+                    "  <button class=\"btn btn-default\" onclick='run_sis()' style=\"font-weight: bold;\">CALCULATE</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;",
                     "  <label title=\"This button becomes active when the",
                     "run is finished. By clicking it, an interactive plot of the first 2",
                     "dimensions of the optimized descriptor will be opened\"> ",
@@ -7221,17 +3392,18 @@
             },
             "output": {
                 "state": {},
+                "selectedType": "BeakerDisplay",
+                "height": 0,
                 "result": {
                     "type": "BeakerDisplay",
                     "innertype": "Html",
-                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<script>\nvar run_lasso = function() {\n  $(\"#sis_result_button\").removeClass(\"active\").addClass(\"disabled\");\n  beaker.evaluate(\"calc_SIS_cell\"); // evaluate cells with tag \"lasso_cell\"\n // view_result()\n};\n</script>\n\n<div class=\"sis_plot\">\n  <p style=\"margin-top: 1ex;\"></p>\n  <button class=\"btn btn-default\" onclick=\"run_lasso()\" style=\"font-weight: bold;\">RUN</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;\n  <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the first 2\ndimensions of the optimized descriptor will be opened\"> \n  <a href=\"/user/tmp/94a132a4b0a2edb1.html\" target=\"_blank\" class=\"btn btn-primary active\" id=\"sis_result_button\">View interactive 2D scatter plot</a> </label>\n</div>"
+                    "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<script>\nvar run_sis = function() {\n  $(\"#sis_result_button\").removeClass(\"active\").addClass(\"disabled\");\n  beaker.evaluate(\"calc_SIS_cell\"); // evaluate cells with tag \"lasso_cell\"\nbeaker.view_result = function(result_link) {\n    $(\"#sis_result_button\").attr(\"href\", result_link);\n  $(\"#sis_result_button\").removeClass(\"disabled\").addClass(\"active\");\n}\n};\n</script>\n\n<div class=\"sis_plot\">\n  <p style=\"margin-top: 1ex;\"></p>\n  <button class=\"btn btn-default\" onclick=\"run_sis()\" style=\"font-weight: bold;\">CALCULATE</button>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;\n  <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the first 2\ndimensions of the optimized descriptor will be opened\"> \n  <a href=\"#\" target=\"_blank\" class=\"btn btn-primary disabled\" id=\"sis_result_button\">View interactive 2D scatter plot</a> </label>\n</div>"
                 },
-                "selectedType": "BeakerDisplay",
-                "elapsedTime": 0,
-                "height": 87
+                "elapsedTime": 0
             },
             "evaluatorReader": true,
-            "lineCount": 16
+            "lineCount": 19,
+            "initialization": true
         },
         {
             "id": "codeVPbetp",
@@ -7239,55 +3411,67 @@
             "evaluator": "IPython",
             "input": {
                 "body": [
+                    "# SETTINGS",
+                    "#",
+                    "# allowed settings:",
+                    "# operations: '+','-','*','/','log','^-1','^2','^3','sqrt','|-|'",
+                    "# features: \"atomic_ionization_potential\", \"atomic_electron_affinity\", \"atomic_homo\", \"atomic_lumo\", \"atomic_rs_max\", \"atomic_rp_max\", \"atomic_rd_max\", \"atomic_number\", \"period\"",
+                    "# subs_sis: < 301 (limited for this tutorial)",
+                    "# desc_dim : 2",
+                    "# rung: 2",
+                    "",
+                    "",
+                    "",
                     "selected_feature_list = ['atomic_rs_max', 'atomic_rp_max','atomic_rd_max']",
-                    "allowed_operations = ['+','-','*','/','log','^-1','^2','^3','sqrt','|-|']",
-                    "Structures_names = ['ZB', 'RS', 'CsCl', 'NiAs', 'CrB']",
                     "P, D, feature_list, compound_list, json_paths = get_data_for_classification(selected_feature_list)",
                     "",
+                    "allowed_operations = ['+','-','*','/','log','^-1','^2','^3','sqrt','|-|']",
                     "SIS_parameters = {",
                     "    'rung' :2,",
                     "    'opset' : allowed_operations,",
                     "    'desc_dim' : 2,",
-                    "    'subs_sis' : 10,",
-                    "    'ptyp':'quali'",
-                    "}",
-                    "",
-                    "# Now P is a list of lists with chemical formulas",
-                    "for n_p, p in enumerate(P):",
-                    "    print Structures_names[n_p], np.array(p)"
+                    "    'subs_sis' : 100,",
+                    "    'ptype':'quali'",
+                    "}"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "WARNING: No allowed operations selected.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Number of total features generated: 6\n"
-                        },
-                        {
-                            "type": "out",
-                            "value": "ZB ['TeZn' 'BrCu' 'SZn' 'OZn' 'SeZn' 'C2' 'CGe' 'CSi' 'CSn' 'Si2' 'GeSn' 'Ge2'\n 'CdS' 'CdSe' 'CdTe' 'GaSb' 'ClCu' 'GaP' 'GaN' 'GeSi' 'BeTe' 'InN' 'BeS'\n 'Sn2' 'SiSn' 'AgI' 'AlAs' 'AlN' 'AlP' 'AlSb' 'AsB' 'BeSe' 'AsIn' 'AsGa'\n 'BN' 'BP' 'BSb' 'InSb' 'InP' 'BeO' 'CuI']\nRS ['SSr' 'MgS' 'MgO' 'INa' 'FRb' 'FNa' 'FLi' 'FK' 'IK' 'CaTe' 'CsF' 'BaO'\n 'BaS' 'BaSe' 'BaTe' 'BrK' 'BrLi' 'BrNa' 'CaO' 'CaS' 'CaSe' 'MgSe' 'CdO'\n 'SrTe' 'ClK' 'ClLi' 'ClNa' 'ClRb' 'SeSr' 'OSr']\nCsCl ['ClCs' 'IRb' 'CsI' 'BrRb' 'BrCs']\nNiAs ['ILi' 'AgCl' 'MgTe' 'AgBr']\nCrB ['CuF' 'AgF']\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "/usr/local/lib/python2.7/dist-packages/IPython/kernel/__main__.py:31: FutureWarning: sort(columns=....) is deprecated, use sort_values(by=.....)\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 4195,
-                "height": 255
+                "shellId": "769AC1053A474D139637EBFAD311D374",
+                "height": 0
+            },
+            "evaluatorReader": true,
+            "lineCount": 22,
+            "tags": "calc_SIS_cell"
+        },
+        {
+            "id": "code122Zf5",
+            "type": "code",
+            "evaluator": "IPython",
+            "input": {
+                "body": [
+                    "# set units of features to avoid i.e. size+energy",
+                    "# In F_unit all features corresponding to the same unit/dimension are together in a sublist (but note that i.e. dimeres distances are not considered to be in the same dimension as orbital based radii although they have the same units):",
+                    "         ",
+                    "F_unit = [",
+                    "    ['IP(A)', 'IP(B)', 'EA(A)', 'EA(B)'],",
+                    "    ['E_HOMO(A)', 'E_HOMO(B)', 'E_LUMO(A)', 'E_LUMO(B)'],",
+                    "    ['r_s(A)', 'r_s(B)', 'r_p(A)', 'r_p(B)', 'r_d(A)', 'r_d(B)'],",
+                    "    ['Z(A)', 'Z(B)','period(A)','period(B)'],",
+                    "    ]",
+                    "",
+                    "feature_unit_classes = [i_class for f in feature_list for i_class, dimension_group in enumerate(F_unit) if f in dimension_group] ",
+                    "print feature_list",
+                    "print feature_unit_classes"
+                ]
+            },
+            "output": {
+                "state": {}
             },
             "evaluatorReader": true,
-            "lineCount": 16,
+            "lineCount": 13,
             "tags": "calc_SIS_cell"
         },
         {
@@ -7300,21 +3484,17 @@
                     "import random",
                     "import string",
                     "",
-                    "random_name = 'AA_'+''.join(random.SystemRandom().choice(string.ascii_uppercase + string.digits) for _ in range(20))",
-                    "",
-                    "try:",
-                    "    IP = os.environ['OPENMPIHOST']  ",
-                    "    PORT = int(os.environ['OPENMPIPORT'])",
-                    "except:",
-                    "    IP = '172.17.0.3'",
-                    "    PORT = 22",
-                    "",
                     "#write key file with rsa key for accessing mpi container",
                     "key_file = '/home/beaker/key.mpi'",
                     "key = \"-----BEGIN RSA PRIVATE KEY-----\\nMIIEogIBAAKCAQEA7PWLZmgdJ508dD15T6+xqGDvL9Ehzo9SgsnN6xJ+qpUvvOi4\\n1axW0AqR4MnPTg/uuvk+x4tUpuufOW4w22UTGjsdvmIVWa9ujLtcRiN3YPY+SU+Y\\nO5FfqKg7r/hBn+/GMcSoffwSs7vVgmhBBnp/mJh2O1cOAFZEe98/47mbg3/kHBAk\\n36NOQktaU3l48B38EhBTnjWfcEGm1HcTRPFxXV5Wiko6ZhKFEuHcTVKng4ROtUqE\\nmgHyI0aB7TAxg4na0ejItsYWEPWGeDOw6ms/4MwylxNosWzHFPW9p4zgLCLNr+b6\\nbDDfYKjXZflAuTQtQhLmJUwD9uuYLAijpSE2fQIDAQABAoIBADgcgRET8Gt0CV/B\\nOtvKz/f+VEVvcWD3gWNlJDTZIVOFllNWjIZUlA4ZoqenQkbK8Q4nfV1FOht4yjCQ\\nTlN1oMtiWk297i5Zo4UBzPzy4w774I39oh/g8dT/WXr2/5s+7SDV38xNh6Q2A34o\\n79T35wUcfUrZ93/O7dKjb/6d8hx2FMha0wVKqY4lmG1lQE3bbx3kakec0PdvU5kO\\nYHKlpqj3pMR7CpMa+4yL/iXFwWYmnK+uu+zw7JR7PwvH1CzrnvW438wjQ1QmYbSx\\nmHHOE89X67Lsl5hn81qYWBhpwAlBwi1qscsE0cV9GcFyKqWFqZsj5coM9u3CRfvy\\nlrWe1OUCgYEA+LBUFEd3Hxs4sFiYElJ8R9SAs1udaqPvAl01hTEijJLfYlMMVs/y\\nrgNN7j22zjDak2f8QdyMJZX7EZdRmdYcHO0csYOwbYvalzcnwk+U3mxmdD3r4xSo\\nDSvkJ70fogAqUlcVIg2re6fCmZVJQTvMQYTVEM8zQomJRt/Lb2esSfsCgYEA8+zv\\n44aToe8uqiDs4w8guRW7LCDkTw4z4IVo9JUibIaPjaAs5bZEBXSB43EEywXCR75H\\nfML0rU1PVvKh1rqcvZdVzm+XMWVr3asPk0sapaiHaTcmyZvJRDxxqbLFp0zRP1T6\\ncCtXNFdHWU4KiuKrUi6cDyOKchpfkSZa4seiT+cCgYB+n4FgBfdQPlMB70oW4irn\\ng/q32CjxuGCk6oKqu5bkzo+xB6obtavSEFqouIGQwO056tNVUY+GP7Rjg5GH663K\\nyKw4cl3tmS0Gm43B8TVSfw03mKO3rrfWZQe5eCFYIg9qd26KNT2gK435FzsCXQkm\\nPxUhhu6JrW/ZR2/U3Iur6wKBgADrWLAb1ryagSuE+j+U1AO+kDkHWrTtkcZ72jxp\\nv3p3O11GSEUJXdJDcSXhTCpTuDq6/dv7hB6PFwh126RKicKxKlKf2wsFndV1Cpb8\\nhnovW2tLGOtTmfuW2rrQAKyzvmolsNfxYd/BoHQ2thV16z1hDZeFA8WQUeHjKh6G\\nsBbrAoGATdtQlaUxx4izua6k02ihkxx/cRYwDl2N8UDvDBHokS7vJFMX8b8NpsGg\\nzMElnqSpu/pe/0UG7N2MtPF6uyMcX8AZzzcsRkiMkDvWJzYt8Jpf+Eyd/uryF+Yv\\nyrXaOEY83tm6x/fny5ZaZmk8lNth7bfWywuTMkZLX3fYpWtIeE4=\\n-----END RSA PRIVATE KEY-----\"",
                     "with open(key_file,'w') as f:",
                     "    f.write(key)",
                     "",
+                    "",
+                    "IP = '130.183.207.104'",
+                    "PORT = 32768",
+                    "random_name = 'AA_'+''.join(random.SystemRandom().choice(string.ascii_uppercase + string.digits) for _ in range(20))",
+                    "",
                     "### Settings",
                     "# 1) Local paths",
                     "Local_paths = {",
@@ -7335,33 +3515,23 @@
                     "Parameters = SIS_parameters",
                     "",
                     "sis_control = {'local_paths':Local_paths, 'remote_run':Remote_run, 'parameters':Parameters}",
-                    "sis = SIS(P, D, feature_list, target_unit='eV', control=sis_control, rm_existing_files=True)",
+                    "sis = SIS(P, D, feature_list, feature_unit_classes=feature_unit_classes, target_unit='eV', control=sis_control, rm_existing_files=True)",
                     "sis.start()",
                     "",
-                    "overlap, Des, D_selected = sis.get_results()",
+                    "Des, D_selected, overlap = sis.get_results()[-1]",
                     "print \"Descriptors: %s \\nNumber of samples in overlap regions: %s\\n\" %(Des, overlap)"
                 ]
             },
             "output": {
                 "state": {},
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "out",
-                            "value": "Descriptors: ['(r_s(A)+r_p(A))+(r_p(A)+r_d(B))', '(r_s(A)+r_d(B))+(r_s(B)+r_p(A))'] \nNumber of samples in overlap regions: 3\n\n"
-                        }
-                    ]
-                },
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 2833,
-                "height": 89,
+                "shellId": "769AC1053A474D139637EBFAD311D374",
+                "height": 0,
                 "dataresult": "\nprint Des\nc =0\ncolors = ['r','b', 'g', 'm', 'k']\nfor s, stru_class in enumerate(P):\n    color = colors[s]\n    d = []\n    for mat in stru_class:\n        x,y = D[c]\n        d.append([x,y])\n        plt.plot(x,y, '%ss'%color)\n        c+=1    \n    points = np.array(d)\n    if len(points)>2:\n        hull = ConvexHull(points)\n        for simplex in hull.simplices:\n            plt.plot(points[simplex, 0], points[simplex, 1], '%s--' %color)\n        #plt.plot(points[hull.vertices,0], points[hull.vertices,1], '%s--' %color, lw=2)\n    else:\n        plt.plot(points[:,0],points[:,1], '%s--' %color)\nprint overlap\n"
             },
             "evaluatorReader": true,
-            "lineCount": 44,
+            "lineCount": 40,
             "tags": "calc_SIS_cell"
         },
         {
@@ -7380,23 +3550,22 @@
                     "",
                     "",
                     "# parameters for the nomad viewer",
-                    "target_list = [structure_class for structure_class, comps_of_class_list in enumerate(P) for _ in  range(len(comps_of_class_list))]",
+                    "target_list = list(P)",
                     "x_list, y_list = D_selected.transpose().tolist()",
                     "x_axis_label, y_axis_label = Des",
                     "frame_list = [[0] for _ in range(82)]",
                     "op_list = np.zeros(82)",
                     "operations_on_structure = [(create_supercell, {'replicas': [3, 3, 3]})]",
-                    "data_folder='/parsed/prod-017/FhiAimsParser2.0.0/RdUzye8EKmv-z4LGNHGTSk8S3S1WY'",
-                    "legend_title='Reference E(RS)-E(ZB)'",
-                    "plot_title = 'LASSO+L0 structure map'",
-                    "target_name='E(RS)-E(ZB)'",
+                    "legend_title='Structure name (target class)'",
+                    "plot_title = 'SIS+L0 structure map'",
+                    "target_name='Structure name (target class)'",
                     "tmp_folder='/home/beaker/.beaker/v1/web/tmp/'",
                     "parameter_list = selected_feature_list+[allowed_operations]",
                     "name_html_page = hashlib.sha224(str(parameter_list)).hexdigest()[:16]",
                     "beaker.viewer_result_5_strucs = name_html_page",
                     "with open(tmp_folder+'output.log', 'w') as f:",
-                    "    f.write(\"Descriptors: %s,%s \\nNumber of samples in overlap regions: %s\\n\" ",
-                    "             %(x_axis_label, y_axis_label, overlap))",
+                    "    f.write(\"Descriptors: %s,%s \\nNumber of samples in overlap regions: %s\\nallowed_operations : %s\\nselected_feature_list : %s\\n\" ",
+                    "             %(x_axis_label, y_axis_label, overlap,allowed_operations,selected_feature_list))",
                     "",
                     "",
                     "operated_structure_list = _get_structures(json_list=json_paths, file_format='NOMAD', frame_list=frame_list, tmp_folder=tmp_folder,",
@@ -7408,7 +3577,7 @@
                     "file_html_link, file_html_name = viewer.plot(archive=operated_structure_list, frames='list',",
                     "                                             frame_list=frame_list, clustering_x_list=x_list, clustering_y_list=y_list,",
                     "                                             target_list=target_list, ",
-                    "                                             target_class_names=Structures_names,target_unit='eV',",
+                    "                                             target_class_names=Structure_names,target_unit='eV',",
                     "                                             target_name=target_name, legend_title=legend_title,",
                     "                                             plot_convex_hull=True, is_classification=True,",
                     "                                             x_axis_label=x_axis_label, y_axis_label=y_axis_label, plot_title=plot_title,",
@@ -7420,29 +3589,11 @@
                 "state": {},
                 "selectedType": "Results",
                 "pluginName": "IPython",
-                "shellId": "109035019D6148B2917DFA4522E8810D",
-                "elapsedTime": 7514,
-                "result": {
-                    "type": "Results",
-                    "outputdata": [
-                        {
-                            "type": "err",
-                            "value": "INFO: Generating figures and geometry files.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Generating figures and geometry files: done.\n"
-                        },
-                        {
-                            "type": "err",
-                            "value": "INFO: Click on the button 'View interactive 2D scatter plot' to see the plot.\n"
-                        }
-                    ]
-                },
-                "height": 89
+                "shellId": "769AC1053A474D139637EBFAD311D374",
+                "height": 0
             },
             "evaluatorReader": true,
-            "lineCount": 43,
+            "lineCount": 42,
             "tags": "calc_SIS_cell"
         },
         {
@@ -7451,10 +3602,6 @@
             "evaluator": "JavaScript",
             "input": {
                 "body": [
-                    "beaker.view_result = function(result_link) {",
-                    "    $(\"#sis_result_button\").attr(\"href\", result_link);",
-                    "  $(\"#sis_result_button\").removeClass(\"disabled\").addClass(\"active\");",
-                    "}",
                     "var result_link = '/user/tmp/' + beaker.viewer_result_5_strucs + '.html';",
                     "beaker.view_result(result_link);"
                 ],
@@ -7464,10 +3611,10 @@
                 "state": {},
                 "selectedType": "BeakerDisplay",
                 "pluginName": "JavaScript",
-                "elapsedTime": 80
+                "height": 78
             },
             "evaluatorReader": true,
-            "lineCount": 6,
+            "lineCount": 2,
             "tags": "calc_SIS_cell"
         }
     ],
@@ -7491,11 +3638,11 @@
         "n_sis": null,
         "units": "eV_angstrom",
         "viewer_result": "8a055c69f90b5155",
-        "lam": "0.08",
+        "lam": "0.02",
         "image": "/user/AA_4K0A9VDU2MXW9EBCGPBA.png",
         "tro": 3,
         "ro": 3,
-        "viewer_result_ZB_RS": "51c41b8d0c9627e2",
-        "viewer_result_5_strucs": "94a132a4b0a2edb1"
+        "viewer_result_ZB_RS": "19cbd5289199ab7b",
+        "viewer_result_5_strucs": "51c41b8d0c9627e2"
     }
 }
-- 
GitLab