Unpack.ipynb

{
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  {
   "cell_type": "markdown",
   "id": "7d1f75d5-1987-4ceb-bfc1-2e8ce9801b84",
   "metadata": {},
   "source": [
    "This notebook unpacks the supplementary data for use with pyiron."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4eb81b60-b69d-4f5d-a36a-bb98ab5e75b5",
   "metadata": {},
   "source": [
    "# Download Data from Edmond\n",
    "\n",
    "The full data is stored on the [Edmond](https://edmond.mpdl.mpg.de) system of the MPDL.\n",
    "\n",
    "You can manually download it [here](https://doi.org/10.17617/3.A3MB7Z) or use the code below."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "a8c1b71f-41df-4064-bffc-ffef6b65c35c",
   "metadata": {},
   "outputs": [],
   "source": [
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194529 -O structure_files.tar.gz\n",
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194528 -O structures_packed.tar.gz\n",
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194525 -O structures_packed.csv \n",
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194524 -O fit_files.tar.gz\n",
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194526 -O fit_packed.tar.gz \n",
    "!wget https://edmond.mpdl.mpg.de/api/access/datafile/194527 -O fit_packed.csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "d5b9e180-f407-4611-bcbe-0c8b55125d7d",
   "metadata": {},
   "outputs": [],
   "source": [
    "!tar xf structure_files.tar.gz\n",
    "!tar xf fit_files.tar.gz"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "9253980c-f633-4f2d-9132-933dcfd3cc56",
   "metadata": {},
   "outputs": [],
   "source": [
    "from pyiron import Project"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "bd5004cc-1b46-4de9-9a0c-788984ff8ff4",
   "metadata": {},
   "outputs": [],
   "source": [
    "pr = Project('.')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "966aa4f3-cc4a-4a4f-ba13-0b4f85ed891b",
   "metadata": {},
   "source": [
    "# Unpack TrainingContainers with Training Data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "8da75e67-08ad-46b0-b893-3b52858f0850",
   "metadata": {},
   "outputs": [],
   "source": [
    "structures_pr = pr.create_group('structures')\n",
    "if len(structures_pr.list_nodes()) == 0:\n",
    "    pr.unpack('structures_packed', csv_file_name='structures_packed.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "322c788b-cac5-4701-a2fb-12f7718cb5ae",
   "metadata": {},
   "outputs": [
    {
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       "      <td>Everything</td>\n",
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       "      <td>/cmmc/u/</td>\n",
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       "      <td>None</td>\n",
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      "text/plain": [
       "         id    status chemicalformula                job              subjob  \\\n",
       "0  17304430  finished            None              Hydro              /Hydro   \n",
       "1  17304431  finished            None            CellMin            /CellMin   \n",
       "2  17304432  finished            None             IntMin             /IntMin   \n",
       "3  17304433  finished            None             VolMin             /VolMin   \n",
       "4  17304434  finished            None             Rattle             /Rattle   \n",
       "5  17304435  finished            None  EverythingNoShear  /EverythingNoShear   \n",
       "6  17304436  finished            None              Shear              /Shear   \n",
       "7  17304437  finished            None         Everything         /Everything   \n",
       "8  17304438  finished            None            RandSPG            /RandSPG   \n",
       "\n",
       "  projectpath  \\\n",
       "0    /cmmc/u/   \n",
       "1    /cmmc/u/   \n",
       "2    /cmmc/u/   \n",
       "3    /cmmc/u/   \n",
       "4    /cmmc/u/   \n",
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       "6    /cmmc/u/   \n",
       "7    /cmmc/u/   \n",
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       "\n",
       "                                                                             project  \\\n",
       "0  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "1  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "2  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "3  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "4  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "5  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "6  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "7  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "8  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/structures/   \n",
       "\n",
       "                   timestart timestop totalcputime        computer  \\\n",
       "0 2022-01-18 12:04:11.874011     None         None  zora@cmti001#1   \n",
       "1 2022-01-18 12:13:00.518326     None         None  zora@cmti001#1   \n",
       "2 2022-01-18 12:14:06.163905     None         None  zora@cmti001#1   \n",
       "3 2022-01-18 12:15:42.795611     None         None  zora@cmti001#1   \n",
       "4 2022-01-18 14:03:41.676545     None         None  zora@cmti001#1   \n",
       "5 2022-01-18 17:57:26.580139     None         None  zora@cmti001#1   \n",
       "6 2022-02-13 11:52:27.715162     None         None  zora@cmti001#1   \n",
       "7 2022-03-29 17:28:07.344916     None         None  zora@cmti001#1   \n",
       "8 2022-01-18 12:02:56.662539     None         None  zora@cmti001#1   \n",
       "\n",
       "            hamilton hamversion parentid masterid  \n",
       "0  TrainingContainer        0.4     None     None  \n",
       "1  TrainingContainer        0.4     None     None  \n",
       "2  TrainingContainer        0.4     None     None  \n",
       "3  TrainingContainer        0.4     None     None  \n",
       "4  TrainingContainer        0.4     None     None  \n",
       "5  TrainingContainer        0.4     None     None  \n",
       "6  TrainingContainer        0.4     None     None  \n",
       "7  TrainingContainer        0.4     None     None  \n",
       "8  TrainingContainer        0.4     None     None  "
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pr['structures'].job_table()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "a23a5841-7b2a-410f-92fd-1a646bbf11f4",
   "metadata": {},
   "outputs": [],
   "source": [
    "fit_pr = pr.create_group('fit')\n",
    "if len(fit_pr.job_table()) == 0:\n",
    "    pr.unpack('fit_packed', csv_file_name='fit_packed.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "613f9c6a-0bd8-4776-b073-6d148e6789f2",
   "metadata": {},
   "outputs": [
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       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>17322741</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP20_1_8_8_2</td>\n",
       "      <td>/MTP20_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:18:35.504253</td>\n",
       "      <td>2022-02-15 10:36:28.309890</td>\n",
       "      <td>37072.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>17322742</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_5_2</td>\n",
       "      <td>/MTP22_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:18:53.705095</td>\n",
       "      <td>2022-02-15 04:44:03.456578</td>\n",
       "      <td>15909.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>17322743</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_6_5</td>\n",
       "      <td>/MTP22_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:19:32.044403</td>\n",
       "      <td>2022-02-15 08:10:00.152399</td>\n",
       "      <td>28228.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>17322744</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_8_2</td>\n",
       "      <td>/MTP22_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:22:08.860125</td>\n",
       "      <td>2022-02-15 17:05:00.371082</td>\n",
       "      <td>60171.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>17322745</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_5_2</td>\n",
       "      <td>/MTP24_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:23:05.881371</td>\n",
       "      <td>2022-02-15 07:43:44.192221</td>\n",
       "      <td>26438.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>17322746</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_6_5</td>\n",
       "      <td>/MTP24_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:23:12.889614</td>\n",
       "      <td>2022-02-15 12:48:34.206387</td>\n",
       "      <td>44721.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>17322747</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_8_2</td>\n",
       "      <td>/MTP24_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-02-15 00:25:42.474434</td>\n",
       "      <td>2022-02-16 03:14:38.130972</td>\n",
       "      <td>96535.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>17322748</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP20_1_8_5_2</td>\n",
       "      <td>/MTP20_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-03-03 14:25:06.057310</td>\n",
       "      <td>2022-03-03 16:51:40.528304</td>\n",
       "      <td>8794.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>17322749</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_5_2</td>\n",
       "      <td>/MTP14_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:39:34.080100</td>\n",
       "      <td>2022-05-05 11:15:08.046590</td>\n",
       "      <td>149733.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>17322750</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_6_5</td>\n",
       "      <td>/MTP14_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:39:34.076307</td>\n",
       "      <td>2022-05-05 11:15:11.361208</td>\n",
       "      <td>149737.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>17322751</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_8_2</td>\n",
       "      <td>/MTP14_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:40:36.054470</td>\n",
       "      <td>2022-05-05 11:15:14.421342</td>\n",
       "      <td>149678.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>17322752</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_5_2</td>\n",
       "      <td>/MTP18_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:40:36.061672</td>\n",
       "      <td>2022-05-05 11:15:18.332645</td>\n",
       "      <td>149682.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>17322753</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_6_5</td>\n",
       "      <td>/MTP18_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:49:34.250821</td>\n",
       "      <td>2022-05-05 11:15:22.218997</td>\n",
       "      <td>149147.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>17322754</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_8_2</td>\n",
       "      <td>/MTP18_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/Everything/</td>\n",
       "      <td>2022-05-03 17:49:34.265383</td>\n",
       "      <td>2022-05-05 11:15:25.835093</td>\n",
       "      <td>149151.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>17322755</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP08_1_8_5_2</td>\n",
       "      <td>/MTP08_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 07:59:21.985017</td>\n",
       "      <td>2022-02-10 08:03:13.781247</td>\n",
       "      <td>231.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>17322756</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP08_1_8_6_5</td>\n",
       "      <td>/MTP08_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 07:59:21.977260</td>\n",
       "      <td>2022-02-10 08:07:49.459417</td>\n",
       "      <td>507.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>17322757</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP08_1_8_8_2</td>\n",
       "      <td>/MTP08_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:07.799636</td>\n",
       "      <td>2022-02-10 08:14:47.967125</td>\n",
       "      <td>880.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>17322758</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP10_1_8_5_2</td>\n",
       "      <td>/MTP10_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:07.794502</td>\n",
       "      <td>2022-02-10 08:11:49.313214</td>\n",
       "      <td>701.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>17322759</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP10_1_8_6_5</td>\n",
       "      <td>/MTP10_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:07.799313</td>\n",
       "      <td>2022-02-10 08:24:31.155077</td>\n",
       "      <td>1463.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>17322760</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP10_1_8_8_2</td>\n",
       "      <td>/MTP10_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 07:59:42.674776</td>\n",
       "      <td>2022-02-10 08:55:16.023849</td>\n",
       "      <td>3333.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>17322761</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP12_1_8_5_2</td>\n",
       "      <td>/MTP12_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:07.796825</td>\n",
       "      <td>2022-02-10 08:28:55.544409</td>\n",
       "      <td>1727.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>17322762</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP12_1_8_6_5</td>\n",
       "      <td>/MTP12_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:37.360798</td>\n",
       "      <td>2022-02-10 09:17:22.826547</td>\n",
       "      <td>4605.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>17322763</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP12_1_8_8_2</td>\n",
       "      <td>/MTP12_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:37.365639</td>\n",
       "      <td>2022-02-10 10:20:57.395415</td>\n",
       "      <td>8420.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>17322764</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP16_1_8_5_2</td>\n",
       "      <td>/MTP16_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:37.355875</td>\n",
       "      <td>2022-02-10 09:34:20.228619</td>\n",
       "      <td>5622.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>17322765</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP16_1_8_6_5</td>\n",
       "      <td>/MTP16_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:37.371350</td>\n",
       "      <td>2022-02-10 11:43:34.348964</td>\n",
       "      <td>13376.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>17322766</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP16_1_8_8_2</td>\n",
       "      <td>/MTP16_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:00:28.212895</td>\n",
       "      <td>2022-02-10 16:07:03.902236</td>\n",
       "      <td>29195.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>17322767</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP20_1_8_5_2</td>\n",
       "      <td>/MTP20_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:11.448047</td>\n",
       "      <td>2022-02-10 09:21:35.091743</td>\n",
       "      <td>4823.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>17322768</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP20_1_8_6_5</td>\n",
       "      <td>/MTP20_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:12.581865</td>\n",
       "      <td>2022-02-10 11:13:03.411872</td>\n",
       "      <td>11510.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>17322769</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP20_1_8_8_2</td>\n",
       "      <td>/MTP20_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:33.686429</td>\n",
       "      <td>2022-02-10 14:30:27.950045</td>\n",
       "      <td>23334.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>17322770</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_5_2</td>\n",
       "      <td>/MTP22_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:33.688595</td>\n",
       "      <td>2022-02-10 10:41:32.921014</td>\n",
       "      <td>9599.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>17322771</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_6_5</td>\n",
       "      <td>/MTP22_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:49.716606</td>\n",
       "      <td>2022-02-10 13:11:52.272530</td>\n",
       "      <td>18602.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>17322772</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP22_1_8_8_2</td>\n",
       "      <td>/MTP22_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:01:54.786763</td>\n",
       "      <td>2022-02-10 18:55:55.311896</td>\n",
       "      <td>39240.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>17322773</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_5_2</td>\n",
       "      <td>/MTP24_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:02:07.247866</td>\n",
       "      <td>2022-02-10 12:51:55.660480</td>\n",
       "      <td>17388.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>17322774</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_6_5</td>\n",
       "      <td>/MTP24_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:02:13.814245</td>\n",
       "      <td>2022-02-10 16:55:11.153107</td>\n",
       "      <td>31977.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>17322775</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP24_1_8_8_2</td>\n",
       "      <td>/MTP24_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-02-10 08:02:20.078873</td>\n",
       "      <td>2022-02-11 02:06:49.269098</td>\n",
       "      <td>65069.0</td>\n",
       "      <td>zora@cmti001#40#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>17322776</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_5_2</td>\n",
       "      <td>/MTP14_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:31:28.181584</td>\n",
       "      <td>2022-05-05 11:13:17.093317</td>\n",
       "      <td>150108.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>17322777</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_6_5</td>\n",
       "      <td>/MTP14_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:31:28.175290</td>\n",
       "      <td>2022-05-05 11:13:19.316496</td>\n",
       "      <td>150111.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>17322778</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP14_1_8_8_2</td>\n",
       "      <td>/MTP14_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:34:31.633706</td>\n",
       "      <td>2022-05-05 11:13:21.865094</td>\n",
       "      <td>149930.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>17322779</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_5_2</td>\n",
       "      <td>/MTP18_1_8_5_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:34:31.623606</td>\n",
       "      <td>2022-05-05 11:13:24.962391</td>\n",
       "      <td>149933.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>17322780</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_6_5</td>\n",
       "      <td>/MTP18_1_8_6_5</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:35:01.189753</td>\n",
       "      <td>2022-05-05 11:13:28.286448</td>\n",
       "      <td>149907.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>17322781</td>\n",
       "      <td>finished</td>\n",
       "      <td>None</td>\n",
       "      <td>MTP18_1_8_8_2</td>\n",
       "      <td>/MTP18_1_8_8_2</td>\n",
       "      <td>/cmmc/u/</td>\n",
       "      <td>zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/</td>\n",
       "      <td>2022-05-03 17:35:01.189509</td>\n",
       "      <td>2022-05-05 11:13:31.649612</td>\n",
       "      <td>149910.0</td>\n",
       "      <td>zora@cmti001#10#cm</td>\n",
       "      <td>Mlip</td>\n",
       "      <td>0.1.0</td>\n",
       "      <td>None</td>\n",
       "      <td>None</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "          id    status chemicalformula            job          subjob  \\\n",
       "0   17322736  finished            None  MTP12_1_8_8_2  /MTP12_1_8_8_2   \n",
       "1   17322737  finished            None  MTP16_1_8_5_2  /MTP16_1_8_5_2   \n",
       "2   17322738  finished            None  MTP16_1_8_6_5  /MTP16_1_8_6_5   \n",
       "3   17322739  finished            None  MTP16_1_8_8_2  /MTP16_1_8_8_2   \n",
       "4   17322740  finished            None  MTP20_1_8_6_5  /MTP20_1_8_6_5   \n",
       "5   17322741  finished            None  MTP20_1_8_8_2  /MTP20_1_8_8_2   \n",
       "6   17322742  finished            None  MTP22_1_8_5_2  /MTP22_1_8_5_2   \n",
       "7   17322743  finished            None  MTP22_1_8_6_5  /MTP22_1_8_6_5   \n",
       "8   17322744  finished            None  MTP22_1_8_8_2  /MTP22_1_8_8_2   \n",
       "9   17322745  finished            None  MTP24_1_8_5_2  /MTP24_1_8_5_2   \n",
       "10  17322746  finished            None  MTP24_1_8_6_5  /MTP24_1_8_6_5   \n",
       "11  17322747  finished            None  MTP24_1_8_8_2  /MTP24_1_8_8_2   \n",
       "12  17322748  finished            None  MTP20_1_8_5_2  /MTP20_1_8_5_2   \n",
       "13  17322749  finished            None  MTP14_1_8_5_2  /MTP14_1_8_5_2   \n",
       "14  17322750  finished            None  MTP14_1_8_6_5  /MTP14_1_8_6_5   \n",
       "15  17322751  finished            None  MTP14_1_8_8_2  /MTP14_1_8_8_2   \n",
       "16  17322752  finished            None  MTP18_1_8_5_2  /MTP18_1_8_5_2   \n",
       "17  17322753  finished            None  MTP18_1_8_6_5  /MTP18_1_8_6_5   \n",
       "18  17322754  finished            None  MTP18_1_8_8_2  /MTP18_1_8_8_2   \n",
       "19  17322755  finished            None  MTP08_1_8_5_2  /MTP08_1_8_5_2   \n",
       "20  17322756  finished            None  MTP08_1_8_6_5  /MTP08_1_8_6_5   \n",
       "21  17322757  finished            None  MTP08_1_8_8_2  /MTP08_1_8_8_2   \n",
       "22  17322758  finished            None  MTP10_1_8_5_2  /MTP10_1_8_5_2   \n",
       "23  17322759  finished            None  MTP10_1_8_6_5  /MTP10_1_8_6_5   \n",
       "24  17322760  finished            None  MTP10_1_8_8_2  /MTP10_1_8_8_2   \n",
       "25  17322761  finished            None  MTP12_1_8_5_2  /MTP12_1_8_5_2   \n",
       "26  17322762  finished            None  MTP12_1_8_6_5  /MTP12_1_8_6_5   \n",
       "27  17322763  finished            None  MTP12_1_8_8_2  /MTP12_1_8_8_2   \n",
       "28  17322764  finished            None  MTP16_1_8_5_2  /MTP16_1_8_5_2   \n",
       "29  17322765  finished            None  MTP16_1_8_6_5  /MTP16_1_8_6_5   \n",
       "30  17322766  finished            None  MTP16_1_8_8_2  /MTP16_1_8_8_2   \n",
       "31  17322767  finished            None  MTP20_1_8_5_2  /MTP20_1_8_5_2   \n",
       "32  17322768  finished            None  MTP20_1_8_6_5  /MTP20_1_8_6_5   \n",
       "33  17322769  finished            None  MTP20_1_8_8_2  /MTP20_1_8_8_2   \n",
       "34  17322770  finished            None  MTP22_1_8_5_2  /MTP22_1_8_5_2   \n",
       "35  17322771  finished            None  MTP22_1_8_6_5  /MTP22_1_8_6_5   \n",
       "36  17322772  finished            None  MTP22_1_8_8_2  /MTP22_1_8_8_2   \n",
       "37  17322773  finished            None  MTP24_1_8_5_2  /MTP24_1_8_5_2   \n",
       "38  17322774  finished            None  MTP24_1_8_6_5  /MTP24_1_8_6_5   \n",
       "39  17322775  finished            None  MTP24_1_8_8_2  /MTP24_1_8_8_2   \n",
       "40  17322776  finished            None  MTP14_1_8_5_2  /MTP14_1_8_5_2   \n",
       "41  17322777  finished            None  MTP14_1_8_6_5  /MTP14_1_8_6_5   \n",
       "42  17322778  finished            None  MTP14_1_8_8_2  /MTP14_1_8_8_2   \n",
       "43  17322779  finished            None  MTP18_1_8_5_2  /MTP18_1_8_5_2   \n",
       "44  17322780  finished            None  MTP18_1_8_6_5  /MTP18_1_8_6_5   \n",
       "45  17322781  finished            None  MTP18_1_8_8_2  /MTP18_1_8_8_2   \n",
       "\n",
       "   projectpath  \\\n",
       "0     /cmmc/u/   \n",
       "1     /cmmc/u/   \n",
       "2     /cmmc/u/   \n",
       "3     /cmmc/u/   \n",
       "4     /cmmc/u/   \n",
       "5     /cmmc/u/   \n",
       "6     /cmmc/u/   \n",
       "7     /cmmc/u/   \n",
       "8     /cmmc/u/   \n",
       "9     /cmmc/u/   \n",
       "10    /cmmc/u/   \n",
       "11    /cmmc/u/   \n",
       "12    /cmmc/u/   \n",
       "13    /cmmc/u/   \n",
       "14    /cmmc/u/   \n",
       "15    /cmmc/u/   \n",
       "16    /cmmc/u/   \n",
       "17    /cmmc/u/   \n",
       "18    /cmmc/u/   \n",
       "19    /cmmc/u/   \n",
       "20    /cmmc/u/   \n",
       "21    /cmmc/u/   \n",
       "22    /cmmc/u/   \n",
       "23    /cmmc/u/   \n",
       "24    /cmmc/u/   \n",
       "25    /cmmc/u/   \n",
       "26    /cmmc/u/   \n",
       "27    /cmmc/u/   \n",
       "28    /cmmc/u/   \n",
       "29    /cmmc/u/   \n",
       "30    /cmmc/u/   \n",
       "31    /cmmc/u/   \n",
       "32    /cmmc/u/   \n",
       "33    /cmmc/u/   \n",
       "34    /cmmc/u/   \n",
       "35    /cmmc/u/   \n",
       "36    /cmmc/u/   \n",
       "37    /cmmc/u/   \n",
       "38    /cmmc/u/   \n",
       "39    /cmmc/u/   \n",
       "40    /cmmc/u/   \n",
       "41    /cmmc/u/   \n",
       "42    /cmmc/u/   \n",
       "43    /cmmc/u/   \n",
       "44    /cmmc/u/   \n",
       "45    /cmmc/u/   \n",
       "\n",
       "                                                                                         project  \\\n",
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       "38  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
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       "40  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "41  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "42  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "43  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "44  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "45  zora/pyiron/projects/2021/MgStructurePrototypes/SupplementaryNotebook/fit/EverythingNoShear/   \n",
       "\n",
       "                    timestart                   timestop  totalcputime  \\\n",
       "0  2022-02-14 17:03:43.722222 2022-02-14 21:38:56.693945       16512.0   \n",
       "1  2022-02-14 17:05:53.798709 2022-02-14 20:30:54.283635       12300.0   \n",
       "2  2022-02-14 17:05:55.279373 2022-02-14 22:33:24.042576       19648.0   \n",
       "3  2022-02-14 17:05:54.423052 2022-02-15 06:54:00.345370       49685.0   \n",
       "4  2022-02-15 00:18:27.321533 2022-02-15 05:10:06.077583       17498.0   \n",
       "5  2022-02-15 00:18:35.504253 2022-02-15 10:36:28.309890       37072.0   \n",
       "6  2022-02-15 00:18:53.705095 2022-02-15 04:44:03.456578       15909.0   \n",
       "7  2022-02-15 00:19:32.044403 2022-02-15 08:10:00.152399       28228.0   \n",
       "8  2022-02-15 00:22:08.860125 2022-02-15 17:05:00.371082       60171.0   \n",
       "9  2022-02-15 00:23:05.881371 2022-02-15 07:43:44.192221       26438.0   \n",
       "10 2022-02-15 00:23:12.889614 2022-02-15 12:48:34.206387       44721.0   \n",
       "11 2022-02-15 00:25:42.474434 2022-02-16 03:14:38.130972       96535.0   \n",
       "12 2022-03-03 14:25:06.057310 2022-03-03 16:51:40.528304        8794.0   \n",
       "13 2022-05-03 17:39:34.080100 2022-05-05 11:15:08.046590      149733.0   \n",
       "14 2022-05-03 17:39:34.076307 2022-05-05 11:15:11.361208      149737.0   \n",
       "15 2022-05-03 17:40:36.054470 2022-05-05 11:15:14.421342      149678.0   \n",
       "16 2022-05-03 17:40:36.061672 2022-05-05 11:15:18.332645      149682.0   \n",
       "17 2022-05-03 17:49:34.250821 2022-05-05 11:15:22.218997      149147.0   \n",
       "18 2022-05-03 17:49:34.265383 2022-05-05 11:15:25.835093      149151.0   \n",
       "19 2022-02-10 07:59:21.985017 2022-02-10 08:03:13.781247         231.0   \n",
       "20 2022-02-10 07:59:21.977260 2022-02-10 08:07:49.459417         507.0   \n",
       "21 2022-02-10 08:00:07.799636 2022-02-10 08:14:47.967125         880.0   \n",
       "22 2022-02-10 08:00:07.794502 2022-02-10 08:11:49.313214         701.0   \n",
       "23 2022-02-10 08:00:07.799313 2022-02-10 08:24:31.155077        1463.0   \n",
       "24 2022-02-10 07:59:42.674776 2022-02-10 08:55:16.023849        3333.0   \n",
       "25 2022-02-10 08:00:07.796825 2022-02-10 08:28:55.544409        1727.0   \n",
       "26 2022-02-10 08:00:37.360798 2022-02-10 09:17:22.826547        4605.0   \n",
       "27 2022-02-10 08:00:37.365639 2022-02-10 10:20:57.395415        8420.0   \n",
       "28 2022-02-10 08:00:37.355875 2022-02-10 09:34:20.228619        5622.0   \n",
       "29 2022-02-10 08:00:37.371350 2022-02-10 11:43:34.348964       13376.0   \n",
       "30 2022-02-10 08:00:28.212895 2022-02-10 16:07:03.902236       29195.0   \n",
       "31 2022-02-10 08:01:11.448047 2022-02-10 09:21:35.091743        4823.0   \n",
       "32 2022-02-10 08:01:12.581865 2022-02-10 11:13:03.411872       11510.0   \n",
       "33 2022-02-10 08:01:33.686429 2022-02-10 14:30:27.950045       23334.0   \n",
       "34 2022-02-10 08:01:33.688595 2022-02-10 10:41:32.921014        9599.0   \n",
       "35 2022-02-10 08:01:49.716606 2022-02-10 13:11:52.272530       18602.0   \n",
       "36 2022-02-10 08:01:54.786763 2022-02-10 18:55:55.311896       39240.0   \n",
       "37 2022-02-10 08:02:07.247866 2022-02-10 12:51:55.660480       17388.0   \n",
       "38 2022-02-10 08:02:13.814245 2022-02-10 16:55:11.153107       31977.0   \n",
       "39 2022-02-10 08:02:20.078873 2022-02-11 02:06:49.269098       65069.0   \n",
       "40 2022-05-03 17:31:28.181584 2022-05-05 11:13:17.093317      150108.0   \n",
       "41 2022-05-03 17:31:28.175290 2022-05-05 11:13:19.316496      150111.0   \n",
       "42 2022-05-03 17:34:31.633706 2022-05-05 11:13:21.865094      149930.0   \n",
       "43 2022-05-03 17:34:31.623606 2022-05-05 11:13:24.962391      149933.0   \n",
       "44 2022-05-03 17:35:01.189753 2022-05-05 11:13:28.286448      149907.0   \n",
       "45 2022-05-03 17:35:01.189509 2022-05-05 11:13:31.649612      149910.0   \n",
       "\n",
       "              computer hamilton hamversion parentid masterid  \n",
       "0   zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "1   zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "2   zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "3   zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "4   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "5   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "6   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "7   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "8   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "9   zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "10  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "11  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "12  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "13  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "14  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "15  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "16  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "17  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "18  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "19  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "20  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "21  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "22  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "23  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "24  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "25  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "26  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "27  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "28  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "29  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "30  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "31  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "32  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "33  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "34  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "35  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "36  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "37  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "38  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "39  zora@cmti001#40#cm     Mlip      0.1.0     None     None  \n",
       "40  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "41  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "42  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "43  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "44  zora@cmti001#10#cm     Mlip      0.1.0     None     None  \n",
       "45  zora@cmti001#10#cm     Mlip      0.1.0     None     None  "
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "fit_pr.job_table()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "2ded30ce-a757-4b2a-84ab-53d9e0600e45",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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