Example 4 Getting data from Materials Project.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Modified from original at: http://matgenb.materialsvirtuallab.org/\n",
    "\n",
    "# Introduction\n",
    "\n",
    "This notebook demonstrates how you obtain data from the Materials Project using pymatgen's interface to the Materials API. You can find more info about the Materials Project at: https://www.materialsproject.org/"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "from pymatgen import MPRester, Composition\n",
    "import re\n",
    "import pprint\n",
    "\n",
    "# Make sure that you have a Materials API key. You get that from the Materials Project\n",
    "# dashboard on their website: https://www.materialsproject.org/dashboard. \n",
    "# Once you have your key, put it into the next statement as the argument for MPRester. \n",
    "# as MPRester(\"MY_API_KEY\").  You need to put the key in quotes within this call.\n",
    "mpr = MPRester(\"0WTRoHhQsJIzTeXr\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "# Getting structures with material ids\n",
    "\n",
    "Let's say you want to find all structures with similar stoichiometry to Fe<sub>2</sub>O<sub>3</sub>. Create a query to the Materials Project:eeee"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "610\n"
     ]
    }
   ],
   "source": [
    "comp = Composition(\"Fe2O3\")\n",
    "anon_formula = comp.anonymized_formula\n",
    "# We need to convert the formula to the dict form used in the database.\n",
    "anon_formula = {m.group(1): int(m.group(2)) \n",
    "                for m in re.finditer(r\"([A-Z]+)(\\d+)\", anon_formula)}\n",
    "\n",
    "data = mpr.query({\"anonymous_formula\": anon_formula}, \n",
    "                 properties=[\"task_id\", \"pretty_formula\", \"structure\"])\n",
    "print(len(data))  #Should show ~600 data."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{u'pretty_formula': u'Mo2O3',\n",
      " u'structure': Structure Summary\n",
      "Lattice\n",
      "    abc : 3.3320690399999999 5.642726107748322 15.315099350000001\n",
      " angles : 90.0 90.0 107.17273775990958\n",
      " volume : 275.11649776015673\n",
      "      A : 3.3320690399999999 0.0 0.0\n",
      "      B : -1.66603452 5.39116749 0.0\n",
      "      C : 0.0 0.0 15.315099350000001\n",
      "PeriodicSite: Mo (1.6660, 3.9773, 0.7452) [0.8689, 0.7377, 0.0487]\n",
      "PeriodicSite: Mo (0.0000, 1.4139, 14.5699) [0.1311, 0.2623, 0.9513]\n",
      "PeriodicSite: Mo (1.6660, 3.9773, 6.9124) [0.8689, 0.7377, 0.4513]\n",
      "PeriodicSite: Mo (0.0000, 1.4139, 8.4027) [0.1311, 0.2623, 0.5487]\n",
      "PeriodicSite: Mo (0.0000, 4.1738, 9.7640) [0.3871, 0.7742, 0.6375]\n",
      "PeriodicSite: Mo (1.6660, 1.2174, 5.5511) [0.6129, 0.2258, 0.3625]\n",
      "PeriodicSite: Mo (1.6660, 1.2174, 2.1065) [0.6129, 0.2258, 0.1375]\n",
      "PeriodicSite: Mo (0.0000, 4.1738, 13.2086) [0.3871, 0.7742, 0.8625]\n",
      "PeriodicSite: O (1.6660, 0.0000, 7.6575) [0.5000, 0.0000, 0.5000]\n",
      "PeriodicSite: O (1.6660, 0.0000, 0.0000) [0.5000, 0.0000, 0.0000]\n",
      "PeriodicSite: O (0.0000, 0.0298, 13.0383) [0.0028, 0.0055, 0.8513]\n",
      "PeriodicSite: O (0.0000, -0.0298, 2.2769) [-0.0028, -0.0055, 0.1487]\n",
      "PeriodicSite: O (0.0000, -0.0298, 5.3807) [-0.0028, -0.0055, 0.3513]\n",
      "PeriodicSite: O (0.0000, 0.0298, 9.9344) [0.0028, 0.0055, 0.6487]\n",
      "PeriodicSite: O (1.6660, 2.7066, 14.1403) [0.7510, 0.5020, 0.9233]\n",
      "PeriodicSite: O (-0.0000, 2.6846, 1.1748) [0.2490, 0.4980, 0.0767]\n",
      "PeriodicSite: O (-0.0000, 2.6846, 6.4828) [0.2490, 0.4980, 0.4233]\n",
      "PeriodicSite: O (1.6660, 2.7066, 8.8323) [0.7510, 0.5020, 0.5767]\n",
      "PeriodicSite: O (0.0000, 3.2065, 11.4863) [0.2974, 0.5948, 0.7500]\n",
      "PeriodicSite: O (1.6660, 2.1847, 3.8288) [0.7026, 0.4052, 0.2500],\n",
      " u'task_id': u'mvc-912'}\n"
     ]
    }
   ],
   "source": [
    "# data now contains a list of dict. This shows you what each dict has.\n",
    "# Note that the mp id is named \"task_id\" in the database itself.\n",
    "pprint.pprint(data[0])  "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "# Getting band structures\n",
    "\n",
    "Band structures are fairly large objects. It is not recommended that you download large quantities of bandstructures in one shot, but rather just download the ones you need."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "bs = mpr.get_bandstructure_by_material_id(\"mp-20470\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "from pymatgen.electronic_structure.plotter import BSPlotter\n",
    "%matplotlib inline"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [
    {
     "ename": "RuntimeError",
     "evalue": "LaTeX was not able to process the following string:\n'lp'\nHere is the full report generated by LaTeX: \n\n",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m\u001b[0m",
      "\u001b[0;31mRuntimeError\u001b[0mTraceback (most recent call last)",
      "\u001b[0;32m<ipython-input-6-8b320cc37630>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[0mplotter\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mBSPlotter\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mbs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 2\u001b[0;31m \u001b[0mplotter\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshow\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/pymatgen/electronic_structure/plotter.pyc\u001b[0m in \u001b[0;36mshow\u001b[0;34m(self, zero_to_efermi, ylim, smooth, smooth_tol)\u001b[0m\n\u001b[1;32m    580\u001b[0m                 \u001b[0mDefault\u001b[0m \u001b[0;32mis\u001b[0m \u001b[0mNone\u001b[0m \u001b[0msuch\u001b[0m \u001b[0mthat\u001b[0m \u001b[0mno\u001b[0m \u001b[0mtolerance\u001b[0m \u001b[0mwill\u001b[0m \u001b[0mbe\u001b[0m \u001b[0mused\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    581\u001b[0m         \"\"\"\n\u001b[0;32m--> 582\u001b[0;31m         \u001b[0mplt\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_plot\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mzero_to_efermi\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mylim\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0msmooth\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    583\u001b[0m         \u001b[0mplt\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mshow\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    584\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/pymatgen/electronic_structure/plotter.pyc\u001b[0m in \u001b[0;36mget_plot\u001b[0;34m(self, zero_to_efermi, ylim, smooth, vbm_cbm_marker, smooth_tol)\u001b[0m\n\u001b[1;32m    561\u001b[0m             \u001b[0mplt\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mylim\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mylim\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    562\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 563\u001b[0;31m         \u001b[0mplt\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mtight_layout\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    564\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    565\u001b[0m         \u001b[0;32mreturn\u001b[0m \u001b[0mplt\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/pyplot.pyc\u001b[0m in \u001b[0;36mtight_layout\u001b[0;34m(pad, h_pad, w_pad, rect)\u001b[0m\n\u001b[1;32m   1404\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1405\u001b[0m     \u001b[0mfig\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mgcf\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1406\u001b[0;31m     \u001b[0mfig\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mtight_layout\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mpad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mpad\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mh_pad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mh_pad\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mw_pad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mw_pad\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrect\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mrect\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1407\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1408\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/figure.pyc\u001b[0m in \u001b[0;36mtight_layout\u001b[0;34m(self, renderer, pad, h_pad, w_pad, rect)\u001b[0m\n\u001b[1;32m   1751\u001b[0m                                          \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1752\u001b[0m                                          \u001b[0mpad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mpad\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mh_pad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mh_pad\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mw_pad\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mw_pad\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1753\u001b[0;31m                                          rect=rect)\n\u001b[0m\u001b[1;32m   1754\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1755\u001b[0m         \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0msubplots_adjust\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/tight_layout.pyc\u001b[0m in \u001b[0;36mget_tight_layout_figure\u001b[0;34m(fig, axes_list, subplotspec_list, renderer, pad, h_pad, w_pad, rect)\u001b[0m\n\u001b[1;32m    351\u001b[0m                                      \u001b[0msubplot_list\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0msubplot_list\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    352\u001b[0m                                      \u001b[0max_bbox_list\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0max_bbox_list\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 353\u001b[0;31m                                      pad=pad, h_pad=h_pad, w_pad=w_pad)\n\u001b[0m\u001b[1;32m    354\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    355\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0mrect\u001b[0m \u001b[0;32mis\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0mNone\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/tight_layout.pyc\u001b[0m in \u001b[0;36mauto_adjust_subplotpars\u001b[0;34m(fig, renderer, nrows_ncols, num1num2_list, subplot_list, ax_bbox_list, pad, h_pad, w_pad, rect)\u001b[0m\n\u001b[1;32m    128\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    129\u001b[0m         tight_bbox_raw = union([ax.get_tightbbox(renderer) for ax in subplots\n\u001b[0;32m--> 130\u001b[0;31m                                 if ax.get_visible()])\n\u001b[0m\u001b[1;32m    131\u001b[0m         tight_bbox = TransformedBbox(tight_bbox_raw,\n\u001b[1;32m    132\u001b[0m                                      fig.transFigure.inverted())\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axes/_base.pyc\u001b[0m in \u001b[0;36mget_tightbbox\u001b[0;34m(self, renderer, call_axes_locator)\u001b[0m\n\u001b[1;32m   3821\u001b[0m             \u001b[0mbb\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mappend\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_right_title\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_window_extent\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3822\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 3823\u001b[0;31m         \u001b[0mbb_xaxis\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mxaxis\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_tightbbox\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   3824\u001b[0m         \u001b[0;32mif\u001b[0m \u001b[0mbb_xaxis\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   3825\u001b[0m             \u001b[0mbb\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mappend\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mbb_xaxis\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axis.pyc\u001b[0m in \u001b[0;36mget_tightbbox\u001b[0;34m(self, renderer)\u001b[0m\n\u001b[1;32m   1093\u001b[0m         \u001b[0mticks_to_draw\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_update_ticks\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1094\u001b[0m         ticklabelBoxes, ticklabelBoxes2 = self._get_tick_bboxes(ticks_to_draw,\n\u001b[0;32m-> 1095\u001b[0;31m                                                                 renderer)\n\u001b[0m\u001b[1;32m   1096\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1097\u001b[0m         \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_update_label_position\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mticklabelBoxes\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mticklabelBoxes2\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axis.pyc\u001b[0m in \u001b[0;36m_get_tick_bboxes\u001b[0;34m(self, ticks, renderer)\u001b[0m\n\u001b[1;32m   1076\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0mtick\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mticks\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1077\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1On\u001b[0m \u001b[0;32mand\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_visible\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1078\u001b[0;31m                 \u001b[0mextent\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_window_extent\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1079\u001b[0m                 \u001b[0mticklabelBoxes\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mappend\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mextent\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1080\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel2On\u001b[0m \u001b[0;32mand\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel2\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_visible\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/text.pyc\u001b[0m in \u001b[0;36mget_window_extent\u001b[0;34m(self, renderer, dpi)\u001b[0m\n\u001b[1;32m    965\u001b[0m             \u001b[0;32mraise\u001b[0m \u001b[0mRuntimeError\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'Cannot get window extent w/o renderer'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    966\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 967\u001b[0;31m         \u001b[0mbbox\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0minfo\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdescent\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_get_layout\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_renderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    968\u001b[0m         \u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_unitless_position\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    969\u001b[0m         \u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_transform\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mtransform_point\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/text.pyc\u001b[0m in \u001b[0;36m_get_layout\u001b[0;34m(self, renderer)\u001b[0m\n\u001b[1;32m    351\u001b[0m         tmp, lp_h, lp_bl = renderer.get_text_width_height_descent('lp',\n\u001b[1;32m    352\u001b[0m                                                          \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_fontproperties\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 353\u001b[0;31m                                                          ismath=False)\n\u001b[0m\u001b[1;32m    354\u001b[0m         \u001b[0moffsety\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m(\u001b[0m\u001b[0mlp_h\u001b[0m \u001b[0;34m-\u001b[0m \u001b[0mlp_bl\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_linespacing\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    355\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/backends/backend_agg.pyc\u001b[0m in \u001b[0;36mget_text_width_height_descent\u001b[0;34m(self, s, prop, ismath)\u001b[0m\n\u001b[1;32m    228\u001b[0m             \u001b[0mfontsize\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mprop\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_size_in_points\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    229\u001b[0m             w, h, d = texmanager.get_text_width_height_descent(s, fontsize,\n\u001b[0;32m--> 230\u001b[0;31m                                                                renderer=self)\n\u001b[0m\u001b[1;32m    231\u001b[0m             \u001b[0;32mreturn\u001b[0m \u001b[0mw\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mh\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0md\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    232\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/texmanager.pyc\u001b[0m in \u001b[0;36mget_text_width_height_descent\u001b[0;34m(self, tex, fontsize, renderer)\u001b[0m\n\u001b[1;32m    674\u001b[0m         \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    675\u001b[0m             \u001b[0;31m# use dviread. It sometimes returns a wrong descent.\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 676\u001b[0;31m             \u001b[0mdvifile\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmake_dvi\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mtex\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mfontsize\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    677\u001b[0m             \u001b[0mdvi\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mdviread\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mDvi\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mdvifile\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m72\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mdpi_fraction\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    678\u001b[0m             \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/texmanager.pyc\u001b[0m in \u001b[0;36mmake_dvi\u001b[0;34m(self, tex, fontsize)\u001b[0m\n\u001b[1;32m    421\u001b[0m                      \u001b[0;34m'string:\\n%s\\nHere is the full report generated by '\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    422\u001b[0m                      \u001b[0;34m'LaTeX: \\n\\n'\u001b[0m \u001b[0;34m%\u001b[0m \u001b[0mrepr\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mtex\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mencode\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'unicode_escape'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m+\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 423\u001b[0;31m                      report))\n\u001b[0m\u001b[1;32m    424\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    425\u001b[0m                 \u001b[0mmpl\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mverbose\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mreport\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mreport\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'debug'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mRuntimeError\u001b[0m: LaTeX was not able to process the following string:\n'lp'\nHere is the full report generated by LaTeX: \n\n"
     ]
    },
    {
     "ename": "RuntimeError",
     "evalue": "LaTeX was not able to process the following string:\n'lp'\nHere is the full report generated by LaTeX: \n\n",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m\u001b[0m",
      "\u001b[0;31mRuntimeError\u001b[0mTraceback (most recent call last)",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/IPython/core/formatters.pyc\u001b[0m in \u001b[0;36m__call__\u001b[0;34m(self, obj)\u001b[0m\n\u001b[1;32m    305\u001b[0m                 \u001b[0;32mpass\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    306\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 307\u001b[0;31m                 \u001b[0;32mreturn\u001b[0m \u001b[0mprinter\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mobj\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    308\u001b[0m             \u001b[0;31m# Finally look for special method names\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    309\u001b[0m             \u001b[0mmethod\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mget_real_method\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mobj\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mprint_method\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/IPython/core/pylabtools.pyc\u001b[0m in \u001b[0;36m<lambda>\u001b[0;34m(fig)\u001b[0m\n\u001b[1;32m    238\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    239\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0;34m'png'\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mformats\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 240\u001b[0;31m         \u001b[0mpng_formatter\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfor_type\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mFigure\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;32mlambda\u001b[0m \u001b[0mfig\u001b[0m\u001b[0;34m:\u001b[0m \u001b[0mprint_figure\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mfig\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'png'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    241\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0;34m'retina'\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mformats\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0;34m'png2x'\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mformats\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    242\u001b[0m         \u001b[0mpng_formatter\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfor_type\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mFigure\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;32mlambda\u001b[0m \u001b[0mfig\u001b[0m\u001b[0;34m:\u001b[0m \u001b[0mretina_figure\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mfig\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/IPython/core/pylabtools.pyc\u001b[0m in \u001b[0;36mprint_figure\u001b[0;34m(fig, fmt, bbox_inches, **kwargs)\u001b[0m\n\u001b[1;32m    122\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    123\u001b[0m     \u001b[0mbytes_io\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mBytesIO\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 124\u001b[0;31m     \u001b[0mfig\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mcanvas\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mprint_figure\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mbytes_io\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkw\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    125\u001b[0m     \u001b[0mdata\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mbytes_io\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mgetvalue\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    126\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0mfmt\u001b[0m \u001b[0;34m==\u001b[0m \u001b[0;34m'svg'\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/backend_bases.pyc\u001b[0m in \u001b[0;36mprint_figure\u001b[0;34m(self, filename, dpi, facecolor, edgecolor, orientation, format, **kwargs)\u001b[0m\n\u001b[1;32m   2198\u001b[0m                     \u001b[0morientation\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0morientation\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   2199\u001b[0m                     \u001b[0mdryrun\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mTrue\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 2200\u001b[0;31m                     **kwargs)\n\u001b[0m\u001b[1;32m   2201\u001b[0m                 \u001b[0mrenderer\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfigure\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_cachedRenderer\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   2202\u001b[0m                 \u001b[0mbbox_inches\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfigure\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_tightbbox\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/backends/backend_agg.pyc\u001b[0m in \u001b[0;36mprint_png\u001b[0;34m(self, filename_or_obj, *args, **kwargs)\u001b[0m\n\u001b[1;32m    543\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    544\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mprint_png\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mfilename_or_obj\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 545\u001b[0;31m         \u001b[0mFigureCanvasAgg\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    546\u001b[0m         \u001b[0mrenderer\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_renderer\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    547\u001b[0m         \u001b[0moriginal_dpi\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdpi\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/backends/backend_agg.pyc\u001b[0m in \u001b[0;36mdraw\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m    462\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    463\u001b[0m         \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 464\u001b[0;31m             \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mfigure\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    465\u001b[0m         \u001b[0;32mfinally\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    466\u001b[0m             \u001b[0mRendererAgg\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlock\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mrelease\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/artist.pyc\u001b[0m in \u001b[0;36mdraw_wrapper\u001b[0;34m(artist, renderer, *args, **kwargs)\u001b[0m\n\u001b[1;32m     61\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mdraw_wrapper\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     62\u001b[0m         \u001b[0mbefore\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 63\u001b[0;31m         \u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m     64\u001b[0m         \u001b[0mafter\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     65\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/figure.pyc\u001b[0m in \u001b[0;36mdraw\u001b[0;34m(self, renderer)\u001b[0m\n\u001b[1;32m   1142\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1143\u001b[0m             mimage._draw_list_compositing_images(\n\u001b[0;32m-> 1144\u001b[0;31m                 renderer, self, dsu, self.suppressComposite)\n\u001b[0m\u001b[1;32m   1145\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1146\u001b[0m             \u001b[0mrenderer\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mclose_group\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'figure'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/image.pyc\u001b[0m in \u001b[0;36m_draw_list_compositing_images\u001b[0;34m(renderer, parent, dsu, suppress_composite)\u001b[0m\n\u001b[1;32m    137\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0mnot_composite\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0mhas_images\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    138\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0mzorder\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0ma\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mdsu\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 139\u001b[0;31m             \u001b[0ma\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    140\u001b[0m     \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    141\u001b[0m         \u001b[0;31m# Composite any adjacent images together\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/artist.pyc\u001b[0m in \u001b[0;36mdraw_wrapper\u001b[0;34m(artist, renderer, *args, **kwargs)\u001b[0m\n\u001b[1;32m     61\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mdraw_wrapper\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     62\u001b[0m         \u001b[0mbefore\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 63\u001b[0;31m         \u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m     64\u001b[0m         \u001b[0mafter\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     65\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axes/_base.pyc\u001b[0m in \u001b[0;36mdraw\u001b[0;34m(self, renderer, inframe)\u001b[0m\n\u001b[1;32m   2424\u001b[0m             \u001b[0mrenderer\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mstop_rasterizing\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   2425\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 2426\u001b[0;31m         \u001b[0mmimage\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_draw_list_compositing_images\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdsu\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   2427\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   2428\u001b[0m         \u001b[0mrenderer\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mclose_group\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'axes'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/image.pyc\u001b[0m in \u001b[0;36m_draw_list_compositing_images\u001b[0;34m(renderer, parent, dsu, suppress_composite)\u001b[0m\n\u001b[1;32m    137\u001b[0m     \u001b[0;32mif\u001b[0m \u001b[0mnot_composite\u001b[0m \u001b[0;32mor\u001b[0m \u001b[0;32mnot\u001b[0m \u001b[0mhas_images\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    138\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0mzorder\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0ma\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mdsu\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 139\u001b[0;31m             \u001b[0ma\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    140\u001b[0m     \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    141\u001b[0m         \u001b[0;31m# Composite any adjacent images together\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/artist.pyc\u001b[0m in \u001b[0;36mdraw_wrapper\u001b[0;34m(artist, renderer, *args, **kwargs)\u001b[0m\n\u001b[1;32m     61\u001b[0m     \u001b[0;32mdef\u001b[0m \u001b[0mdraw_wrapper\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     62\u001b[0m         \u001b[0mbefore\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 63\u001b[0;31m         \u001b[0mdraw\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m*\u001b[0m\u001b[0margs\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m**\u001b[0m\u001b[0mkwargs\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m     64\u001b[0m         \u001b[0mafter\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0martist\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m     65\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axis.pyc\u001b[0m in \u001b[0;36mdraw\u001b[0;34m(self, renderer, *args, **kwargs)\u001b[0m\n\u001b[1;32m   1136\u001b[0m         \u001b[0mticks_to_draw\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_update_ticks\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1137\u001b[0m         ticklabelBoxes, ticklabelBoxes2 = self._get_tick_bboxes(ticks_to_draw,\n\u001b[0;32m-> 1138\u001b[0;31m                                                                 renderer)\n\u001b[0m\u001b[1;32m   1139\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1140\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0mtick\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mticks_to_draw\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/axis.pyc\u001b[0m in \u001b[0;36m_get_tick_bboxes\u001b[0;34m(self, ticks, renderer)\u001b[0m\n\u001b[1;32m   1076\u001b[0m         \u001b[0;32mfor\u001b[0m \u001b[0mtick\u001b[0m \u001b[0;32min\u001b[0m \u001b[0mticks\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1077\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1On\u001b[0m \u001b[0;32mand\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_visible\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1078\u001b[0;31m                 \u001b[0mextent\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel1\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_window_extent\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mrenderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1079\u001b[0m                 \u001b[0mticklabelBoxes\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mappend\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mextent\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1080\u001b[0m             \u001b[0;32mif\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel2On\u001b[0m \u001b[0;32mand\u001b[0m \u001b[0mtick\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlabel2\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_visible\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/text.pyc\u001b[0m in \u001b[0;36mget_window_extent\u001b[0;34m(self, renderer, dpi)\u001b[0m\n\u001b[1;32m    965\u001b[0m             \u001b[0;32mraise\u001b[0m \u001b[0mRuntimeError\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'Cannot get window extent w/o renderer'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    966\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 967\u001b[0;31m         \u001b[0mbbox\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0minfo\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mdescent\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_get_layout\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_renderer\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    968\u001b[0m         \u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_unitless_position\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    969\u001b[0m         \u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_transform\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mtransform_point\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mx\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0my\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/text.pyc\u001b[0m in \u001b[0;36m_get_layout\u001b[0;34m(self, renderer)\u001b[0m\n\u001b[1;32m    351\u001b[0m         tmp, lp_h, lp_bl = renderer.get_text_width_height_descent('lp',\n\u001b[1;32m    352\u001b[0m                                                          \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_fontproperties\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 353\u001b[0;31m                                                          ismath=False)\n\u001b[0m\u001b[1;32m    354\u001b[0m         \u001b[0moffsety\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m(\u001b[0m\u001b[0mlp_h\u001b[0m \u001b[0;34m-\u001b[0m \u001b[0mlp_bl\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_linespacing\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    355\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/backends/backend_agg.pyc\u001b[0m in \u001b[0;36mget_text_width_height_descent\u001b[0;34m(self, s, prop, ismath)\u001b[0m\n\u001b[1;32m    228\u001b[0m             \u001b[0mfontsize\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mprop\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_size_in_points\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    229\u001b[0m             w, h, d = texmanager.get_text_width_height_descent(s, fontsize,\n\u001b[0;32m--> 230\u001b[0;31m                                                                renderer=self)\n\u001b[0m\u001b[1;32m    231\u001b[0m             \u001b[0;32mreturn\u001b[0m \u001b[0mw\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mh\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0md\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    232\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/texmanager.pyc\u001b[0m in \u001b[0;36mget_text_width_height_descent\u001b[0;34m(self, tex, fontsize, renderer)\u001b[0m\n\u001b[1;32m    674\u001b[0m         \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    675\u001b[0m             \u001b[0;31m# use dviread. It sometimes returns a wrong descent.\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 676\u001b[0;31m             \u001b[0mdvifile\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mmake_dvi\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mtex\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mfontsize\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    677\u001b[0m             \u001b[0mdvi\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mdviread\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mDvi\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mdvifile\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m72\u001b[0m \u001b[0;34m*\u001b[0m \u001b[0mdpi_fraction\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    678\u001b[0m             \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;32m/home/idies/anaconda3/envs/pymatgenPy27/lib/python2.7/site-packages/matplotlib/texmanager.pyc\u001b[0m in \u001b[0;36mmake_dvi\u001b[0;34m(self, tex, fontsize)\u001b[0m\n\u001b[1;32m    421\u001b[0m                      \u001b[0;34m'string:\\n%s\\nHere is the full report generated by '\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    422\u001b[0m                      \u001b[0;34m'LaTeX: \\n\\n'\u001b[0m \u001b[0;34m%\u001b[0m \u001b[0mrepr\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mtex\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mencode\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'unicode_escape'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m+\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 423\u001b[0;31m                      report))\n\u001b[0m\u001b[1;32m    424\u001b[0m             \u001b[0;32melse\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    425\u001b[0m                 \u001b[0mmpl\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mverbose\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mreport\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mreport\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'debug'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mRuntimeError\u001b[0m: LaTeX was not able to process the following string:\n'lp'\nHere is the full report generated by LaTeX: \n\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "<matplotlib.figure.Figure at 0x7f222aaceb50>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plotter = BSPlotter(bs)\n",
    "plotter.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "# Getting elastic constants\n",
    "\n",
    "We have 5000 elastic constants and growing. You can easily get all the elastic data with materials ids as follows."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "elastic_data = mpr.query({\"elasticity\": {\"$exists\": True}}, \n",
    "                         properties=[\"task_id\", \"pretty_formula\", \"elasticity\"])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "print(len(elastic_data))\n",
    "pprint.pprint(elastic_data[0])"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "# More resources\n",
    "\n",
    "In general, almost any data can be obtained from MP using the MPRester, either via the high-level functions or the very powerful \"query\" method.\n",
    "\n",
    "For more complex queries, you can refer to the documentation for the Materials API at https://github.com/materialsproject/mapidoc. "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "source": [
    "# Fitting structures\n",
    "\n",
    "Pymatgen has its own structure matching algorithm, which we have used to effectively reduce the 130,000 structures in ICSD to ~60,000 - 70,000 structures. It is fast and accurate. Here's an example of how it works."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "from pymatgen.analysis.structure_matcher import StructureMatcher"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "m = StructureMatcher() # You can customize tolerances etc., but the defaults usually work fine."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "s1 = data[0][\"structure\"]\n",
    "print(s1)\n",
    "s2 = s1.copy()\n",
    "s2.apply_strain(0.1)\n",
    "print(s2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "print(m.fit(s1, s2)) "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "For something more challenging, let's see how many structures are similar to Gd2O3"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "matches = []\n",
    "for d in data:\n",
    "    if m.fit_anonymous(d[\"structure\"], s1):\n",
    "        matches.append(d)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "# The above fitting took a few seconds. We have 32 similar structures.\n",
    "print(len(matches))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": false,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": [
    "# Let's see a few of the matches.\n",
    "pprint.pprint(matches[0])\n",
    "pprint.pprint(matches[1])\n",
    "pprint.pprint(matches[2])"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "deletable": true,
    "editable": true
   },
   "source": [
    "You can see that we have successfully found iso-structural materials!"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true,
    "deletable": true,
    "editable": true
   },
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "pymatgen Python 2.7.13",
   "language": "python",
   "name": "pymatgenpy27"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.13"
  },
  "latex_envs": {
   "LaTeX_envs_menu_present": true,
   "autocomplete": true,
   "bibliofile": "biblio.bib",
   "cite_by": "apalike",
   "current_citInitial": 1,
   "eqLabelWithNumbers": true,
   "eqNumInitial": 1,
   "hotkeys": {
    "equation": "Ctrl-E",
    "itemize": "Ctrl-I"
   },
   "labels_anchors": false,
   "latex_user_defs": false,
   "report_style_numbering": false,
   "user_envs_cfg": false
  },
  "toc": {
   "colors": {
    "hover_highlight": "#DAA520",
    "navigate_num": "#000000",
    "navigate_text": "#333333",
    "running_highlight": "#FF0000",
    "selected_highlight": "#FFD700",
    "sidebar_border": "#EEEEEE",
    "wrapper_background": "#FFFFFF"
   },
   "moveMenuLeft": true,
   "nav_menu": {
    "height": "120px",
    "width": "252px"
   },
   "navigate_menu": true,
   "number_sections": true,
   "sideBar": true,
   "threshold": 4,
   "toc_cell": false,
   "toc_section_display": "block",
   "toc_window_display": false,
   "widenNotebook": false
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}