AtomAgents_exp_2.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "8f76b429-af5a-4983-8baa-b399b0aba083",
   "metadata": {},
   "outputs": [],
   "source": [
    "from AtomAgents import *"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "97913ffc-2c11-432f-8cf5-c58711312569",
   "metadata": {},
   "source": [
    "# Task "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "ae178299-b0b0-482e-b4bd-f36def7c13b1",
   "metadata": {},
   "outputs": [],
   "source": [
    "Task = '''\n",
    "Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. \n",
    "The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\n",
    "'''"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "04a66d51-5d37-4b8b-b984-70befbbf56ea",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "admin_core (to engineer_core):\n",
      "\n",
      "\n",
      "Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. \n",
      "The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\n",
      "\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer_core (to admin_core):\n",
      "\n",
      "***** Suggested tool call (call_oJ1YiT7eGboXCkPHOQcVavCw): plan_task *****\n",
      "Arguments: \n",
      "{\"query\":\"Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\"}\n",
      "**************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n"
     ]
    },
    {
     "name": "stdin",
     "output_type": "stream",
     "text": [
      "Provide feedback to engineer_core. Press enter to skip and use auto-reply, or type 'exit' to end the conversation:  \n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      ">>>>>>>> NO HUMAN INPUT RECEIVED.\n",
      "\n",
      ">>>>>>>> USING AUTO REPLY...\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION plan_task...\n",
      "admin_plan (to chat_manager):\n",
      "\n",
      " Develop detailed plans for the following task. \n",
      "    \n",
      "Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively. \n",
      "\n",
      "Remember, your responsibility is limited to planning only. You cannot execute any tasks or implement any functions.\n",
      "\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "planner (to chat_manager):\n",
      "\n",
      "### Plan for Comparing the Structure of 1/2<111> Screw Dislocation in Tungsten (W) Using Two Different EAM Potentials\n",
      "\n",
      "#### Objective:\n",
      "To compare the core structure of a 1/2<111> screw dislocation in Tungsten (W) using two different Embedded Atom Method (EAM) potentials: \"W_Zhou04.eam.alloy\" and \"w_eam4.fs\".\n",
      "\n",
      "#### Tools Required:\n",
      "1. `computation_task_screw_dislocation` - To generate the relaxed structure with a screw dislocation and obtain the differential displacement map.\n",
      "2. `analyze_screw_core` - To analyze the differential displacement map and determine the screw dislocation core structure.\n",
      "\n",
      "#### Steps:\n",
      "\n",
      "1. **Generate Screw Dislocation for the First Potential (\"W_Zhou04.eam.alloy\")**:\n",
      "   - **Tool**: `computation_task_screw_dislocation`\n",
      "   - **Parameters**:\n",
      "     - `iter_num`: 1\n",
      "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
      "     - `working_directory`: \"W_Zhou04_dislocation\"\n",
      "     - `conc1`: 100\n",
      "     - `conc2`: 0\n",
      "\n",
      "2. **Generate Screw Dislocation for the Second Potential (\"w_eam4.fs\")**:\n",
      "   - **Tool**: `computation_task_screw_dislocation`\n",
      "   - **Parameters**:\n",
      "     - `iter_num`: 2\n",
      "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
      "     - `working_directory`: \"w_eam4_dislocation\"\n",
      "     - `conc1`: 100\n",
      "     - `conc2`: 0\n",
      "\n",
      "3. **Analyze the Screw Dislocation Core for Both Potentials**:\n",
      "   - **Tool**: `analyze_screw_core`\n",
      "   - **Parameters for First Potential**:\n",
      "     - `plot_path`: \"W_Zhou04_dislocation/differential_displacement_map.png\"\n",
      "   - **Parameters for Second Potential**:\n",
      "     - `plot_path`: \"w_eam4_dislocation/differential_displacement_map.png\"\n",
      "\n",
      "#### Execution:\n",
      "- Use the `multi_tool_use.parallel` function to execute the generation of screw dislocations for both potentials simultaneously.\n",
      "- Once the differential displacement maps are obtained, analyze each using the `analyze_screw_core` function sequentially.\n",
      "\n",
      "#### Expected Outcomes:\n",
      "- Differential displacement maps for each potential.\n",
      "- Analysis of the core structure of the screw dislocation for each potential, highlighting differences and similarities.\n",
      "\n",
      "This plan will provide a detailed comparison of the screw dislocation core structures using two different potentials, which is crucial for understanding material behavior under different simulation conditions.\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "critic (to chat_manager):\n",
      "\n",
      "TERMINATE_PLAN\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "***** Response from calling tool (call_oJ1YiT7eGboXCkPHOQcVavCw) *****\n",
      "### Final Plan for Comparing the Structure of 1/2<111> Screw Dislocation in Tungsten (W) Using Two Different EAM Potentials\n",
      "\n",
      "#### Objective:\n",
      "To compare the core structure of a 1/2<111> screw dislocation in Tungsten (W) using two different Embedded Atom Method (EAM) potentials: \"W_Zhou04.eam.alloy\" and \"w_eam4.fs\".\n",
      "\n",
      "#### Tools Required:\n",
      "1. `computation_task_screw_dislocation` - To generate the relaxed structure with a screw dislocation and obtain the differential displacement map.\n",
      "2. `analyze_screw_core` - To analyze the differential displacement map and determine the screw dislocation core structure.\n",
      "\n",
      "#### Steps:\n",
      "\n",
      "1. **Generate Screw Dislocation for the First Potential (\"W_Zhou04.eam.alloy\")**:\n",
      "   - **Tool**: `computation_task_screw_dislocation`\n",
      "   - **Parameters**:\n",
      "     - `iter_num`: 1\n",
      "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
      "     - `working_directory`: \"W_Zhou04_dislocation\"\n",
      "     - `conc1`: 100\n",
      "     - `conc2`: 0\n",
      "\n",
      "2. **Generate Screw Dislocation for the Second Potential (\"w_eam4.fs\")**:\n",
      "   - **Tool**: `computation_task_screw_dislocation`\n",
      "   - **Parameters**:\n",
      "     - `iter_num`: 2\n",
      "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
      "     - `working_directory`: \"w_eam4_dislocation\"\n",
      "     - `conc1`: 100\n",
      "     - `conc2`: 0\n",
      "\n",
      "3. **Analyze the Screw Dislocation Core for Both Potentials**:\n",
      "   - **Tool**: `analyze_screw_core`\n",
      "   - **Parameters for First Potential**:\n",
      "     - `plot_path`: \"W_Zhou04_dislocation/differential_displacement_map.png\"\n",
      "   - **Parameters for Second Potential**:\n",
      "     - `plot_path`: \"w_eam4_dislocation/differential_displacement_map.png\"\n",
      "\n",
      "#### Execution:\n",
      "- Use the `multi_tool_use.parallel` function to execute the generation of screw dislocations for both potentials simultaneously.\n",
      "- Once the differential displacement maps are obtained, analyze each using the `analyze_screw_core` function sequentially.\n",
      "\n",
      "#### Expected Outcomes:\n",
      "- Differential displacement maps for each potential.\n",
      "- Analysis of the core structure of the screw dislocation for each potential, highlighting differences and similarities.\n",
      "\n",
      "This plan will provide a detailed comparison of the screw dislocation core structures using two different potentials, which is crucial for understanding material behavior under different simulation conditions.\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer_core (to admin_core):\n",
      "\n",
      "***** Suggested tool call (call_qGlyEXdSPBeLbw3JjpOpLPrg): computation_task_screw_dislocation *****\n",
      "Arguments: \n",
      "{\"iter_num\": 1, \"message\": \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\", \"working_directory\": \"W_Zhou04_dislocation\", \"conc1\": 100, \"conc2\": 0}\n",
      "***************************************************************************************************\n",
      "***** Suggested tool call (call_wyYZc9Qmjp6kVZP7BKSGnjqZ): computation_task_screw_dislocation *****\n",
      "Arguments: \n",
      "{\"iter_num\": 2, \"message\": \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\", \"working_directory\": \"w_eam4_dislocation\", \"conc1\": 100, \"conc2\": 0}\n",
      "***************************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n"
     ]
    },
    {
     "name": "stdin",
     "output_type": "stream",
     "text": [
      "Provide feedback to engineer_core. Press enter to skip and use auto-reply, or type 'exit' to end the conversation:  \n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      ">>>>>>>> NO HUMAN INPUT RECEIVED.\n",
      "\n",
      ">>>>>>>> USING AUTO REPLY...\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION computation_task_screw_dislocation...\n",
      "admin (to engineer):\n",
      "\n",
      "Compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\n",
      "working directory: W_Zhou04_dislocation\n",
      "concentration_1: 100\n",
      "concentration_2: 0\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "To compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential, we need to follow these steps:\n",
      "\n",
      "1. **Create the working directory**.\n",
      "2. **Create the potential file**.\n",
      "3. **Compute the lattice constant**.\n",
      "4. **Create the screw dislocation structure**.\n",
      "\n",
      "Let's proceed with these steps.\n",
      "\n",
      "### Step 1: Create the working directory\n",
      "We'll create a working directory named `W_Zhou04_dislocation`.\n",
      "\n",
      "### Step 2: Create the potential file\n",
      "We'll create the potential file using the `W_Zhou04.eam.alloy` potential.\n",
      "\n",
      "### Step 3: Compute the lattice constant\n",
      "We'll compute the lattice constant for tungsten (W) using the EAM potential.\n",
      "\n",
      "### Step 4: Create the screw dislocation structure\n",
      "We'll create the screw dislocation structure with the specified orientations and lattice constant.\n",
      "\n",
      "Let's execute these steps.\n",
      "***** Suggested tool call (call_yQODhFeTeYp2xZP4dgN4t0iX): create_working_folder *****\n",
      "Arguments: \n",
      "{\"working_folder\": \"W_Zhou04_dislocation\"}\n",
      "**************************************************************************************\n",
      "***** Suggested tool call (call_kPcJizz3OkAiAd6nlCLbwv3n): create_potential_file *****\n",
      "Arguments: \n",
      "{\"working_folder\": \"W_Zhou04_dislocation\", \"pair_style_text\": \"eam/alloy\", \"pair_coeff_text\": \"* * ../potential_repository/W_Zhou04.eam.alloy W\"}\n",
      "**************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_working_folder...\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_potential_file...\n",
      "pair_style eam/alloy \n",
      "pair_coeff * * ../potential_repository/W_Zhou04.eam.alloy W\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_yQODhFeTeYp2xZP4dgN4t0iX) *****\n",
      "Working folder: W_Zhou04_dislocation\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_kPcJizz3OkAiAd6nlCLbwv3n) *****\n",
      "./W_Zhou04_dislocation/potential.inp\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_2OkIxIvrHdvem8XTKpvskK02): lattice_constant_simulation *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"W_Zhou04_dislocation\",\"lat_type\":\"bcc\",\"lat_const_guess\":3.16,\"conc_1\":100,\"conc_2\":0,\"mtp_pot\":false}\n",
      "********************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION lattice_constant_simulation...\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_2OkIxIvrHdvem8XTKpvskK02) *****\n",
      "{\"lattice constant\": \"3.165\"}\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_2eoRIbcUDaU5YokMYGGF4flK): create_screw_dislocation *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"W_Zhou04_dislocation\",\"lat_type\":\"bcc\",\"lat_const\":3.165,\"conc_1\":100,\"conc_2\":0,\"mtp_pot\":false,\"orient_x\":[1,-1,2],\"orient_y\":[1,1,0],\"orient_z\":[-1,1,1]}\n",
      "*****************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_screw_dislocation...\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_2eoRIbcUDaU5YokMYGGF4flK) *****\n",
      "{\n",
      "  \"screw dislocation data file name\": \"{\\\"Lx (A)\\\": \\\"38.77\\\", \\\"Ly (A)\\\": \\\"29.14\\\", \\\"Lz (A)\\\": \\\"5.47\\\", \\\"potential energy(meV)\\\": \\\"-3602257.63542\\\", \\\"dislocation_displacement_plot_path\\\": \\\"./W_Zhou04_dislocation/DD_plot.dislocated.initial.png\\\"}\",\n",
      "  \"path to DD map\": \"./W_Zhou04_dislocation/DD_plot.dislocated.initial.png\"\n",
      "}\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "The relaxed structure with a 1/2<111> screw dislocation in tungsten (W) has been successfully created using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
      "\n",
      "### Summary of Results:\n",
      "- **Working Directory**: `W_Zhou04_dislocation`\n",
      "- **Lattice Constant**: 3.165 Å\n",
      "- **Screw Dislocation Data File**: `./W_Zhou04_dislocation/DD_plot.dislocated.initial.png`\n",
      "- **Differential Displacement Map**: ![DD Map](./W_Zhou04_dislocation/DD_plot.dislocated.initial.png)\n",
      "\n",
      "You can find the detailed results and the differential displacement map in the working directory.\n",
      "\n",
      "TERMINATE\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION computation_task_screw_dislocation...\n",
      "admin (to engineer):\n",
      "\n",
      "Compute the relaxed structure with a 1/2<111> screw dislocation in W using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\n",
      "working directory: w_eam4_dislocation\n",
      "concentration_1: 100\n",
      "concentration_2: 0\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_Tf5WnQNvy7KyRLrzqnOhVHA9): create_working_folder *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"w_eam4_dislocation\"}\n",
      "**************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_working_folder...\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_Tf5WnQNvy7KyRLrzqnOhVHA9) *****\n",
      "Working folder: w_eam4_dislocation\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_JEgSiQQVCXp6xk8JhQhP3ZwQ): create_potential_file *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"w_eam4_dislocation\",\"pair_style_text\":\"eam/alloy\",\"pair_coeff_text\":\"* * ../potential_repository/w_eam4.fs W\"}\n",
      "**************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_potential_file...\n",
      "pair_style eam/alloy \n",
      "pair_coeff * * ../potential_repository/w_eam4.fs W\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_JEgSiQQVCXp6xk8JhQhP3ZwQ) *****\n",
      "./w_eam4_dislocation/potential.inp\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_54KOJLNUPVOtUuvXxq8diSiB): lattice_constant_simulation *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"w_eam4_dislocation\",\"lat_type\":\"bcc\",\"lat_const_guess\":3.16,\"conc_1\":100,\"conc_2\":0,\"mtp_pot\":false}\n",
      "********************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION lattice_constant_simulation...\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_54KOJLNUPVOtUuvXxq8diSiB) *****\n",
      "{\"lattice constant\": \"3.143\"}\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "***** Suggested tool call (call_499hSJTfxKPQbEIIfEhGb55e): create_screw_dislocation *****\n",
      "Arguments: \n",
      "{\"working_folder\":\"w_eam4_dislocation\",\"lat_type\":\"bcc\",\"lat_const\":3.143,\"conc_1\":100,\"conc_2\":0,\"mtp_pot\":false,\"orient_x\":[1,-1,2],\"orient_y\":[1,1,0],\"orient_z\":[-1,1,1]}\n",
      "*****************************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION create_screw_dislocation...\n",
      "admin (to engineer):\n",
      "\n",
      "admin (to engineer):\n",
      "\n",
      "***** Response from calling tool (call_499hSJTfxKPQbEIIfEhGb55e) *****\n",
      "{\n",
      "  \"screw dislocation data file name\": \"{\\\"Lx (A)\\\": \\\"38.51\\\", \\\"Ly (A)\\\": \\\"28.92\\\", \\\"Lz (A)\\\": \\\"5.42\\\", \\\"potential energy(meV)\\\": \\\"-3663017.88953\\\", \\\"dislocation_displacement_plot_path\\\": \\\"./w_eam4_dislocation/DD_plot.dislocated.initial.png\\\"}\",\n",
      "  \"path to DD map\": \"./w_eam4_dislocation/DD_plot.dislocated.initial.png\"\n",
      "}\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer (to admin):\n",
      "\n",
      "The relaxed structure with a 1/2<111> screw dislocation in W has been successfully computed using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
      "\n",
      "- **Working Directory**: `w_eam4_dislocation`\n",
      "- **Lattice Constant**: 3.143 Å\n",
      "- **Dislocation Data File**: `./w_eam4_dislocation/DD_plot.dislocated.initial.png`\n",
      "\n",
      "The differential displacement map can be found at `./w_eam4_dislocation/DD_plot.dislocated.initial.png`.\n",
      "\n",
      "TERMINATE\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "***** Response from calling tool (call_qGlyEXdSPBeLbw3JjpOpLPrg) *****\n",
      "The relaxed structure with a 1/2<111> screw dislocation in tungsten (W) has been successfully created using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
      "\n",
      "### Summary of Results:\n",
      "- **Working Directory**: `W_Zhou04_dislocation`\n",
      "- **Lattice Constant**: 3.165 Å\n",
      "- **Screw Dislocation Data File**: `./W_Zhou04_dislocation/DD_plot.dislocated.initial.png`\n",
      "- **Differential Displacement Map**: ![DD Map](./W_Zhou04_dislocation/DD_plot.dislocated.initial.png)\n",
      "\n",
      "You can find the detailed results and the differential displacement map in the working directory.\n",
      "\n",
      "TERMINATE\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "***** Response from calling tool (call_wyYZc9Qmjp6kVZP7BKSGnjqZ) *****\n",
      "The relaxed structure with a 1/2<111> screw dislocation in W has been successfully computed using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
      "\n",
      "- **Working Directory**: `w_eam4_dislocation`\n",
      "- **Lattice Constant**: 3.143 Å\n",
      "- **Dislocation Data File**: `./w_eam4_dislocation/DD_plot.dislocated.initial.png`\n",
      "\n",
      "The differential displacement map can be found at `./w_eam4_dislocation/DD_plot.dislocated.initial.png`.\n",
      "\n",
      "TERMINATE\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "engineer_core (to admin_core):\n",
      "\n",
      "***** Suggested tool call (call_uwtAJUPKsNHAyUnY0eXz1jcd): analyze_screw_core *****\n",
      "Arguments: \n",
      "{\"plot_path\": \"W_Zhou04_dislocation/DD_plot.dislocated.initial.png\"}\n",
      "***********************************************************************************\n",
      "***** Suggested tool call (call_ukANFYIFM6FVfX25ExPKxNhK): analyze_screw_core *****\n",
      "Arguments: \n",
      "{\"plot_path\": \"w_eam4_dislocation/DD_plot.dislocated.initial.png\"}\n",
      "***********************************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n"
     ]
    },
    {
     "name": "stdin",
     "output_type": "stream",
     "text": [
      "Provide feedback to engineer_core. Press enter to skip and use auto-reply, or type 'exit' to end the conversation:  \n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      ">>>>>>>> NO HUMAN INPUT RECEIVED.\n",
      "\n",
      ">>>>>>>> USING AUTO REPLY...\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION analyze_screw_core...\n",
      "admin (to multi_model_agent):\n",
      "\n",
      " This first plot is the dislocation displacement map template showing polarized and unpolarized core structures.\n",
      " <image>\n",
      "\n",
      "\n",
      "Based on this template, determine the screw dislocation core structure for the following plot.\n",
      " <image>\n",
      "    \n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> USING AUTO REPLY...\n",
      "multi_model_agent (to admin):\n",
      "\n",
      "To determine the screw dislocation core structure for the given plot, we need to compare it with the templates provided for compact/unpolarized and polarized/non-compact core structures.\n",
      "\n",
      "### Analysis of the Given Plot:\n",
      "1. **Displacement Vectors**: The given plot shows displacement vectors around a central region.\n",
      "2. **Core Structure**: The central region has a specific arrangement of atoms and displacement vectors.\n",
      "\n",
      "### Comparison with Templates:\n",
      "- **Compact/Unpolarized Core**: \n",
      "  - The displacement vectors form a triangular pattern.\n",
      "  - The core is compact with minimal displacement.\n",
      "\n",
      "- **Polarized/Non-Compact Core**: \n",
      "  - The displacement vectors form a more complex, non-triangular pattern.\n",
      "  - The core is more spread out with larger displacements.\n",
      "\n",
      "### Given Plot Characteristics:\n",
      "- The displacement vectors in the given plot form a more complex pattern, similar to the polarized/non-compact core structure.\n",
      "- The core is not compact and shows significant displacement, indicating polarization.\n",
      "\n",
      "### Conclusion:\n",
      "The screw dislocation core structure in the given plot is **polarized/non-compact**.\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> EXECUTING FUNCTION analyze_screw_core...\n",
      "admin (to multi_model_agent):\n",
      "\n",
      " This first plot is the dislocation displacement map template showing polarized and unpolarized core structures.\n",
      " <image>\n",
      "\n",
      "\n",
      "Based on this template, determine the screw dislocation core structure for the following plot.\n",
      " <image>\n",
      "    \n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "\n",
      ">>>>>>>> USING AUTO REPLY...\n",
      "multi_model_agent (to admin):\n",
      "\n",
      "Based on the provided template and the given plot, the screw dislocation core structure in the given plot can be determined as follows:\n",
      "\n",
      "1. **Compact/Unpolarized Core**:\n",
      "   - The core structure is compact and the dislocation is centered around a single point.\n",
      "   - The dislocation vectors form a triangular shape around the core.\n",
      "   - The dislocation vectors are directed towards or away from the core in a symmetric manner.\n",
      "\n",
      "2. **Polarized/Non-Compact Core**:\n",
      "   - The core structure is more spread out and less compact.\n",
      "   - The dislocation vectors form a more complex, non-triangular shape around the core.\n",
      "   - The dislocation vectors are directed in a less symmetric manner, indicating polarization.\n",
      "\n",
      "In the given plot:\n",
      "- The dislocation vectors form a triangular shape around the core.\n",
      "- The vectors are directed towards or away from the core in a symmetric manner.\n",
      "\n",
      "Therefore, the screw dislocation core structure in the given plot corresponds to the **compact/unpolarized core** structure.\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "***** Response from calling tool (call_uwtAJUPKsNHAyUnY0eXz1jcd) *****\n",
      "To determine the screw dislocation core structure for the given plot, we need to compare it with the templates provided for compact/unpolarized and polarized/non-compact core structures.\n",
      "\n",
      "### Analysis of the Given Plot:\n",
      "1. **Displacement Vectors**: The given plot shows displacement vectors around a central region.\n",
      "2. **Core Structure**: The central region has a specific arrangement of atoms and displacement vectors.\n",
      "\n",
      "### Comparison with Templates:\n",
      "- **Compact/Unpolarized Core**: \n",
      "  - The displacement vectors form a triangular pattern.\n",
      "  - The core is compact with minimal displacement.\n",
      "\n",
      "- **Polarized/Non-Compact Core**: \n",
      "  - The displacement vectors form a more complex, non-triangular pattern.\n",
      "  - The core is more spread out with larger displacements.\n",
      "\n",
      "### Given Plot Characteristics:\n",
      "- The displacement vectors in the given plot form a more complex pattern, similar to the polarized/non-compact core structure.\n",
      "- The core is not compact and shows significant displacement, indicating polarization.\n",
      "\n",
      "### Conclusion:\n",
      "The screw dislocation core structure in the given plot is **polarized/non-compact**.\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n",
      "admin_core (to engineer_core):\n",
      "\n",
      "***** Response from calling tool (call_ukANFYIFM6FVfX25ExPKxNhK) *****\n",
      "Based on the provided template and the given plot, the screw dislocation core structure in the given plot can be determined as follows:\n",
      "\n",
      "1. **Compact/Unpolarized Core**:\n",
      "   - The core structure is compact and the dislocation is centered around a single point.\n",
      "   - The dislocation vectors form a triangular shape around the core.\n",
      "   - The dislocation vectors are directed towards or away from the core in a symmetric manner.\n",
      "\n",
      "2. **Polarized/Non-Compact Core**:\n",
      "   - The core structure is more spread out and less compact.\n",
      "   - The dislocation vectors form a more complex, non-triangular shape around the core.\n",
      "   - The dislocation vectors are directed in a less symmetric manner, indicating polarization.\n",
      "\n",
      "In the given plot:\n",
      "- The dislocation vectors form a triangular shape around the core.\n",
      "- The vectors are directed towards or away from the core in a symmetric manner.\n",
      "\n",
      "Therefore, the screw dislocation core structure in the given plot corresponds to the **compact/unpolarized core** structure.\n",
      "**********************************************************************\n",
      "\n",
      "--------------------------------------------------------------------------------\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/home/alireza/anaconda3/envs/agent_lammps/lib/python3.10/site-packages/autogen/agentchat/conversable_agent.py:1125: UserWarning: Cannot extract summary using last_msg: 'list' object has no attribute 'replace'. Using an empty str as summary.\n",
      "  warnings.warn(f\"Cannot extract summary using last_msg: {e}. Using an empty str as summary.\", UserWarning)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "engineer_core (to admin_core):\n",
      "\n",
      "### Comparison of 1/2<111> Screw Dislocation Core Structures in Tungsten (W) Using Two EAM Potentials\n",
      "\n",
      "#### Potentials Used:\n",
      "1. **W_Zhou04.eam.alloy**\n",
      "2. **w_eam4.fs**\n",
      "\n",
      "#### Dislocation Line and Directions:\n",
      "- **Dislocation Line**: [-1,1,1]\n",
      "- **Glide Direction**: [1,-1,2]\n",
      "- **Glide Plane Normal**: [1,1,0]\n",
      "\n",
      "### Results:\n",
      "\n",
      "#### 1. W_Zhou04.eam.alloy Potential:\n",
      "- **Differential Displacement Map**: ![DD Map](./W_Zhou04_dislocation/DD_plot.dislocated.initial.png)\n",
      "- **Core Structure Analysis**:\n",
      "  - The displacement vectors form a more complex pattern.\n",
      "  - The core is not compact and shows significant displacement, indicating polarization.\n",
      "  - **Conclusion**: The screw dislocation core structure is **polarized/non-compact**.\n",
      "\n",
      "#### 2. w_eam4.fs Potential:\n",
      "- **Differential Displacement Map**: ![DD Map](./w_eam4_dislocation/DD_plot.dislocated.initial.png)\n",
      "- **Core Structure Analysis**:\n",
      "  - The displacement vectors form a triangular shape around the core.\n",
      "  - The vectors are directed towards or away from the core in a symmetric manner.\n",
      "  - **Conclusion**: The screw dislocation core structure is **compact/unpolarized**.\n",
      "\n",
      "### Summary:\n",
      "- The **W_Zhou04.eam.alloy** potential results in a **polarized/non-compact** core structure for the 1/2<111> screw dislocation in Tungsten.\n",
      "- The **w_eam4.fs** potential results in a **compact/unpolarized** core structure for the same dislocation.\n",
      "\n",
      "This comparison highlights the significant differences in the dislocation core structures predicted by the two EAM potentials, which can have implications for the material's mechanical properties and behavior under stress.\n",
      "\n",
      "--------------------------------------------------------------------------------\n"
     ]
    },
    {
     "name": "stdin",
     "output_type": "stream",
     "text": [
      "Provide feedback to engineer_core. Press enter to skip and use auto-reply, or type 'exit' to end the conversation:  exit\n"
     ]
    }
   ],
   "source": [
    "res = admin_core.initiate_chat(recipient=engineer_core,\n",
    "message=Task)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "664550de-45ea-4a59-ab1a-d1cc2f3085b3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/markdown": [
       "assistant: \n",
       "Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. \n",
       "The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\n",
       "\n",
       "\n",
       "assistant:plan_task-{\"query\":\"Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\"}\n",
       "\n",
       "tool: ### Final Plan for Comparing the Structure of 1/2<111> Screw Dislocation in Tungsten (W) Using Two Different EAM Potentials\n",
       "\n",
       "#### Objective:\n",
       "To compare the core structure of a 1/2<111> screw dislocation in Tungsten (W) using two different Embedded Atom Method (EAM) potentials: \"W_Zhou04.eam.alloy\" and \"w_eam4.fs\".\n",
       "\n",
       "#### Tools Required:\n",
       "1. `computation_task_screw_dislocation` - To generate the relaxed structure with a screw dislocation and obtain the differential displacement map.\n",
       "2. `analyze_screw_core` - To analyze the differential displacement map and determine the screw dislocation core structure.\n",
       "\n",
       "#### Steps:\n",
       "\n",
       "1. **Generate Screw Dislocation for the First Potential (\"W_Zhou04.eam.alloy\")**:\n",
       "   - **Tool**: `computation_task_screw_dislocation`\n",
       "   - **Parameters**:\n",
       "     - `iter_num`: 1\n",
       "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
       "     - `working_directory`: \"W_Zhou04_dislocation\"\n",
       "     - `conc1`: 100\n",
       "     - `conc2`: 0\n",
       "\n",
       "2. **Generate Screw Dislocation for the Second Potential (\"w_eam4.fs\")**:\n",
       "   - **Tool**: `computation_task_screw_dislocation`\n",
       "   - **Parameters**:\n",
       "     - `iter_num`: 2\n",
       "     - `message`: \"Compute the relaxed structure with a 1/2<111> screw dislocation in W using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], glide direction [1,-1,2], and glide plane normal [1,1,0].\"\n",
       "     - `working_directory`: \"w_eam4_dislocation\"\n",
       "     - `conc1`: 100\n",
       "     - `conc2`: 0\n",
       "\n",
       "3. **Analyze the Screw Dislocation Core for Both Potentials**:\n",
       "   - **Tool**: `analyze_screw_core`\n",
       "   - **Parameters for First Potential**:\n",
       "     - `plot_path`: \"W_Zhou04_dislocation/differential_displacement_map.png\"\n",
       "   - **Parameters for Second Potential**:\n",
       "     - `plot_path`: \"w_eam4_dislocation/differential_displacement_map.png\"\n",
       "\n",
       "#### Execution:\n",
       "- Use the `multi_tool_use.parallel` function to execute the generation of screw dislocations for both potentials simultaneously.\n",
       "- Once the differential displacement maps are obtained, analyze each using the `analyze_screw_core` function sequentially.\n",
       "\n",
       "#### Expected Outcomes:\n",
       "- Differential displacement maps for each potential.\n",
       "- Analysis of the core structure of the screw dislocation for each potential, highlighting differences and similarities.\n",
       "\n",
       "This plan will provide a detailed comparison of the screw dislocation core structures using two different potentials, which is crucial for understanding material behavior under different simulation conditions.\n",
       "\n",
       "assistant:computation_task_screw_dislocation-{\"query\":\"Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\"}\n",
       "\n",
       "tool: The relaxed structure with a 1/2<111> screw dislocation in tungsten (W) has been successfully created using the W_Zhou04.eam.alloy potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
       "\n",
       "### Summary of Results:\n",
       "- **Working Directory**: `W_Zhou04_dislocation`\n",
       "- **Lattice Constant**: 3.165 Å\n",
       "- **Screw Dislocation Data File**: `./W_Zhou04_dislocation/DD_plot.dislocated.initial.png`\n",
       "- **Differential Displacement Map**: ![DD Map](./W_Zhou04_dislocation/DD_plot.dislocated.initial.png)\n",
       "\n",
       "You can find the detailed results and the differential displacement map in the working directory.\n",
       "\n",
       "TERMINATE\n",
       "\n",
       "The relaxed structure with a 1/2<111> screw dislocation in W has been successfully computed using the w_eam4.fs potential. The dislocation line is aligned along [-1,1,1], the glide direction is [1,-1,2], and the glide plane normal is [1,1,0].\n",
       "\n",
       "- **Working Directory**: `w_eam4_dislocation`\n",
       "- **Lattice Constant**: 3.143 Å\n",
       "- **Dislocation Data File**: `./w_eam4_dislocation/DD_plot.dislocated.initial.png`\n",
       "\n",
       "The differential displacement map can be found at `./w_eam4_dislocation/DD_plot.dislocated.initial.png`.\n",
       "\n",
       "TERMINATE\n",
       "\n",
       "assistant:analyze_screw_core-{\"query\":\"Compare the structure of 1/2<111> screw dislocation in W using “W_Zhou04.eam.alloy” and “w_eam4.fs” EAM potentials. The dislocation line is aligned along [-1,1,1] direction, and dislocation glide and glide plane normal directions are [1,-1,2] and [1,1,0], respectively.\"}\n",
       "\n",
       "tool: To determine the screw dislocation core structure for the given plot, we need to compare it with the templates provided for compact/unpolarized and polarized/non-compact core structures.\n",
       "\n",
       "### Analysis of the Given Plot:\n",
       "1. **Displacement Vectors**: The given plot shows displacement vectors around a central region.\n",
       "2. **Core Structure**: The central region has a specific arrangement of atoms and displacement vectors.\n",
       "\n",
       "### Comparison with Templates:\n",
       "- **Compact/Unpolarized Core**: \n",
       "  - The displacement vectors form a triangular pattern.\n",
       "  - The core is compact with minimal displacement.\n",
       "\n",
       "- **Polarized/Non-Compact Core**: \n",
       "  - The displacement vectors form a more complex, non-triangular pattern.\n",
       "  - The core is more spread out with larger displacements.\n",
       "\n",
       "### Given Plot Characteristics:\n",
       "- The displacement vectors in the given plot form a more complex pattern, similar to the polarized/non-compact core structure.\n",
       "- The core is not compact and shows significant displacement, indicating polarization.\n",
       "\n",
       "### Conclusion:\n",
       "The screw dislocation core structure in the given plot is **polarized/non-compact**.\n",
       "\n",
       "Based on the provided template and the given plot, the screw dislocation core structure in the given plot can be determined as follows:\n",
       "\n",
       "1. **Compact/Unpolarized Core**:\n",
       "   - The core structure is compact and the dislocation is centered around a single point.\n",
       "   - The dislocation vectors form a triangular shape around the core.\n",
       "   - The dislocation vectors are directed towards or away from the core in a symmetric manner.\n",
       "\n",
       "2. **Polarized/Non-Compact Core**:\n",
       "   - The core structure is more spread out and less compact.\n",
       "   - The dislocation vectors form a more complex, non-triangular shape around the core.\n",
       "   - The dislocation vectors are directed in a less symmetric manner, indicating polarization.\n",
       "\n",
       "In the given plot:\n",
       "- The dislocation vectors form a triangular shape around the core.\n",
       "- The vectors are directed towards or away from the core in a symmetric manner.\n",
       "\n",
       "Therefore, the screw dislocation core structure in the given plot corresponds to the **compact/unpolarized core** structure.\n",
       "\n",
       "user: ### Comparison of 1/2<111> Screw Dislocation Core Structures in Tungsten (W) Using Two EAM Potentials\n",
       "\n",
       "#### Potentials Used:\n",
       "1. **W_Zhou04.eam.alloy**\n",
       "2. **w_eam4.fs**\n",
       "\n",
       "#### Dislocation Line and Directions:\n",
       "- **Dislocation Line**: [-1,1,1]\n",
       "- **Glide Direction**: [1,-1,2]\n",
       "- **Glide Plane Normal**: [1,1,0]\n",
       "\n",
       "### Results:\n",
       "\n",
       "#### 1. W_Zhou04.eam.alloy Potential:\n",
       "- **Differential Displacement Map**: ![DD Map](./W_Zhou04_dislocation/DD_plot.dislocated.initial.png)\n",
       "- **Core Structure Analysis**:\n",
       "  - The displacement vectors form a more complex pattern.\n",
       "  - The core is not compact and shows significant displacement, indicating polarization.\n",
       "  - **Conclusion**: The screw dislocation core structure is **polarized/non-compact**.\n",
       "\n",
       "#### 2. w_eam4.fs Potential:\n",
       "- **Differential Displacement Map**: ![DD Map](./w_eam4_dislocation/DD_plot.dislocated.initial.png)\n",
       "- **Core Structure Analysis**:\n",
       "  - The displacement vectors form a triangular shape around the core.\n",
       "  - The vectors are directed towards or away from the core in a symmetric manner.\n",
       "  - **Conclusion**: The screw dislocation core structure is **compact/unpolarized**.\n",
       "\n",
       "### Summary:\n",
       "- The **W_Zhou04.eam.alloy** potential results in a **polarized/non-compact** core structure for the 1/2<111> screw dislocation in Tungsten.\n",
       "- The **w_eam4.fs** potential results in a **compact/unpolarized** core structure for the same dislocation.\n",
       "\n",
       "This comparison highlights the significant differences in the dislocation core structures predicted by the two EAM potentials, which can have implications for the material's mechanical properties and behavior under stress.\n",
       "\n"
      ],
      "text/plain": [
       "<IPython.core.display.Markdown object>"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "formatted_text = \"\"\n",
    "for i in range(len(res.chat_history)):\n",
    "    try:\n",
    "        formatted_text += f'''{res.chat_history[i]['role']}:{res.chat_history[i]['tool_calls'][0]['function']['name']}-{res.chat_history[1]['tool_calls'][0]['function']['arguments']}\\n\\n'''\n",
    "    except:\n",
    "        formatted_text += f'''{res.chat_history[i]['role']}: {res.chat_history[i]['content']}\\n\\n'''\n",
    "\n",
    "\n",
    "Markdown(formatted_text)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "675567d5-7f23-4037-8d27-4a281034bca6",
   "metadata": {},
   "source": [
    "# Save conversations to pdf file"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "e21e83d2-8b73-4320-8d03-6efcf857d89f",
   "metadata": {},
   "outputs": [],
   "source": [
    "markdown_to_pdf(formatted_text, 'screw_structure_conversation.pdf')"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3 (ipykernel)",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.10.13"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}