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    <strong>Calculation update!</strong> New properties have been added to the website for dislocation monopole core structures, dynamic relaxes of both crystal and liquid phases, and melting temperatures!  Currently, the results for these properties predominately focus on EAM-style potentials, but the results will be updated for other potentials as the associated calculations finish.  Feel free to give us feedback on the new properties so we can improve their representations as needed.
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<div class="mt-8 p-5 bg-light rounded">
  <h1 class="display-1">Overview</h1>
  <p class="lead">
      <img title="generalized stacking fault energy" src="./site/GSFE-Ni-1-jet.png" alt="Ni stacking fault energy" style="float:right;">
      This repository provides a source for interatomic potentials (force fields), related files, and
      evaluation tools to help researchers obtain interatomic models and judge their quality and
      applicability. Users are encouraged to download and use interatomic potentials, with proper
      acknowledgement, and developers are welcome to contribute potentials for inclusion. The files
      provided have been submitted or vetted by their developers and appropriate references are provided.
      All classes of potentials (e.g., MEAM, ADP, COMB, ReaxFF, EAM, etc.) and materials are welcome.
      Interatomic potentials and/or related files are currently available for various metals,
      semiconductors, oxides, and carbon-containing systems.
  </p> 
  </div>

<h1>Interatomic Potentials (Force Fields)</h1>
<h2>Elements</h2>
<table>
  <tbody>
    <tr>
      <td class = "element non-metal"><a class="symbol" href="system/H">1<br>H</a></td>
      <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element noble"><a class="symbol" href="system/He">2<br>He</a></td>
    </tr>
    <tr>
      <td class="element alkali"><a class="symbol" href="system/Li">3<br>Li</a></td>
      <td class="element alkaline"><a class="symbol" href="system/Be">4<br>Be</a></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
      <td class="element metalloid"><a class="symbol" href="system/B">5<br>B</a></td>
      <td class="element non-metal"><a class="symbol" href="system/C">6<br>C</a></td>
      <td class="element non-metal"><a class="symbol" href="system/N">7<br>N</a></td>
      <td class="element non-metal"><a class="symbol" href="system/O">8<br>O</a></td>
      <td class="element non-metal"><a class="symbol" href="system/F">9<br>F</a></td>
      <td class="element noble"><a class="symbol" href="system/Ne">10<br>Ne</a></td>
    </tr>
    <tr>
       <td class="element alkali"><a class="symbol" href="system/Na">11<br>Na</a></td>
       <td class="element alkaline"><a class="symbol" href="system/Mg">12<br>Mg</a></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element empty"><br></td>
       <td class="element post-transition"><a class="symbol" href="system/Al">13<br>Al</a></td>
       <td class="element metalloid"><a class="symbol" href="system/Si">14<br>Si</a></td>
       <td class="element non-metal"><a class="symbol" href="system/P">15<br>P</a></td>
       <td class="element non-metal"><a class="symbol" href="system/S">16<br>S</a></td>
       <td class="element non-metal"><a class="symbol" href="system/Cl">17<br>Cl</a></td>
       <td class="element noble"><a class="symbol" href="system/Ar">18<br>Ar</a></td>
    </tr>
    <tr>
      <td class="element alkali"><a class="symbol" href="system/K">19<br>K</a></td>
      <td class="element alkaline"><a class="symbol" href="system/Ca">20<br>Ca</a></td>
      <td class="element transition"><a class="symbol" href="system/Sc">21<br>Sc</a></td>
      <td class="element transition"><a class="symbol" href="system/Ti">22<br>Ti</a></td>
      <td class="element transition"><a class="symbol" href="system/V">23<br>V</a></td>
      <td class="element transition"><a class="symbol" href="system/Cr">24<br>Cr</a></td>
      <td class="element transition"><a class="symbol" href="system/Mn">25<br>Mn</a></td>
      <td class="element transition"><a class="symbol" href="system/Fe">26<br>Fe</a></td>
      <td class="element transition"><a class="symbol" href="system/Co">27<br>Co</a></td>
      <td class="element transition"><a class="symbol" href="system/Ni">28<br>Ni</a></td>
      <td class="element transition"><a class="symbol" href="system/Cu">29<br>Cu</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Zn">30<br>Zn</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Ga">31<br>Ga</a></td>
      <td class="element metalloid"><a class="symbol" href="system/Ge">32<br>Ge</a></td>
      <td class="element metalloid"><a class="symbol" href="system/As">33<br>As</a></td>
      <td class="element non-metal"><a class="symbol" href="system/Se">34<br>Se</a></td>
      <td class="element non-metal"><a class="symbol" href="system/Br">35<br>Br</a></td>
      <td class="element noble"><a class="symbol" href="system/Kr">36<br>Kr</a></td>
    </tr>
    <tr>
      <td class="element alkali"><a class="symbol" href="system/Rb">37<br>Rb</a></td>
      <td class="element alkaline"><a class="symbol" href="system/Sr">38<br>Sr</a></td>
      <td class="element transition"><a class="symbol" href="system/Y">39<br>Y</a></td>
      <td class="element transition"><a class="symbol" href="system/Zr">40<br>Zr</a></td>
      <td class="element transition"><a class="symbol" href="system/Nb">41<br>Nb</a></td>
      <td class="element transition"><a class="symbol" href="system/Mo">42<br>Mo</a></td>
      <td class="element transition"><a class="symbol" href="system/Tc">43<br>Tc</a></td>
      <td class="element transition"><a class="symbol" href="system/Ru">44<br>Ru</a></td>
      <td class="element transition"><a class="symbol" href="system/Rh">45<br>Rh</a></td>
      <td class="element transition"><a class="symbol" href="system/Pd">46<br>Pd</a></td>
      <td class="element transition"><a class="symbol" href="system/Ag">47<br>Ag</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Cd">48<br>Cd</a></td>
      <td class="element post-transition"><a class="symbol" href="system/In">49<br>In</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Sn">50<br>Sn</a></td>
      <td class="element metalloid"><a class="symbol" href="system/Sb">51<br>Sb</a></td>
      <td class="element metalloid"><a class="symbol" href="system/Te">52<br>Te</a></td>
      <td class="element non-metal"><a class="symbol" href="system/I">53<br>I</a></td>
      <td class="element noble"><a class="symbol" href="system/Xe">54<br>Xe</a></td>
    </tr>
    <tr>
      <td class="element alkali"><a class="symbol" href="system/Cs">55<br>Cs</a></td>
      <td class="element alkaline"><a class="symbol" href="system/Ba">56<br>Ba</a></td>
      <td class="element star">*<br></td>
      <td class="element transition"><a class="symbol" href="system/Hf">72<br>Hf</a></td>
      <td class="element transition"><a class="symbol" href="system/Ta">73<br>Ta</a></td>
      <td class="element transition"><a class="symbol" href="system/W">74<br>W</a></td>
      <td class="element transition"><a class="symbol" href="system/Re">75<br>Re</a></td>
      <td class="element transition"><a class="symbol" href="system/Os">76<br>Os</a></td>
      <td class="element transition"><a class="symbol" href="system/Ir">77<br>Ir</a></td>
      <td class="element transition"><a class="symbol" href="system/Pt">78<br>Pt</a></td>
      <td class="element transition"><a class="symbol" href="system/Au">79<br>Au</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Hg">80<br>Hg</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Tl">81<br>Tl</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Pb">82<br>Pb</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Bi">83<br>Bi</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Po">84<br>Po</a></td>
      <td class="element metalloid"><a class="symbol" href="system/At">85<br>At</a></td>
      <td class="element noble"><a class="symbol" href="system/Rn">86<br>Rn</a></td>
    </tr>
    <tr>
      <td class="element alkali"><a class="symbol" href="system/Fr">87<br>Fr</a></td>
      <td class="element alkaline"><a class="symbol" href="system/Ra">88<br>Ra</a></td>
      <td class="element star">**<br></td>
      <td class="element transition"><a class="symbol" href="system/Rf">104<br>Rf</a></td>
      <td class="element transition"><a class="symbol" href="system/Db">105<br>Db</a></td>
      <td class="element transition"><a class="symbol" href="system/Sg">106<br>Sg</a></td>
      <td class="element transition"><a class="symbol" href="system/Bh">107<br>Bh</a></td>
      <td class="element transition"><a class="symbol" href="system/Hs">108<br>Hs</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Mt">109<br>Mt</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Ds">110<br>Ds</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Rg">111<br>Rg</a></td>
      <td class="element post-transition"><a class="symbol" href="system/Cn">112<br>Cn</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Nh">113<br>Nh</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Fl">114<br>Fl</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Mc">115<br>Mc</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Lv">116<br>Lv</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Ts">117<br>Ts</a></td>
      <td class="element unclassified"><a class="symbol" href="system/Og">118<br>Og</a></td>
    </tr>
    <tr>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
       <td class=" separator"><br></td>
    </tr>
    <tr>
       <td class="element empty"><br></td>
       <td class="element star">*</td>
       <td class="element lanthanide"><a class="symbol" href="system/La">57<br>La</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Ce">58<br>Ce</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Pr">59<br>Pr</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Nd">60<br>Nd</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Pm">61<br>Pm</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Sm">62<br>Sm</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Eu">63<br>Eu</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Gd">64<br>Gd</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Tb">65<br>Tb</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Dy">66<br>Dy</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Ho">67<br>Ho</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Er">68<br>Er</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Tm">69<br>Tm</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Yb">70<br>Yb</a></td>
       <td class="element lanthanide"><a class="symbol" href="system/Lu">71<br>Lu</a></td>
       <td class="element empty"><br></td>
    </tr>
    <tr>
      <td class="element empty"><br></td>
      <td class="element star">**<br></td>
      <td class="element actinide"><a class="symbol" href="system/Ac">89<br>Ac</a></td>
      <td class="element actinide"><a class="symbol" href="system/Th">90<br>Th</a></td>
      <td class="element actinide"><a class="symbol" href="system/Pa">91<br>Pa</a></td>
      <td class="element actinide"><a class="symbol" href="system/U">92<br>U</a></td>
      <td class="element actinide"><a class="symbol" href="system/Np">93<br>Np</a></td>
      <td class="element actinide"><a class="symbol" href="system/Pu">94<br>Pu</a></td>
      <td class="element actinide"><a class="symbol" href="system/Am">95<br>Am</a></td>
      <td class="element actinide"><a class="symbol" href="system/Cm">96<br>Cm</a></td>
      <td class="element actinide"><a class="symbol" href="system/Bk">97<br>Bk</a></td>
      <td class="element actinide"><a class="symbol" href="system/Cf">98<br>Cf</a></td>
      <td class="element actinide"><a class="symbol" href="system/Es">99<br>Es</a></td>
      <td class="element actinide"><a class="symbol" href="system/Fm">100<br>Fm</a></td>
      <td class="element actinide"><a class="symbol" href="system/Md">101<br>Md</a></td>
      <td class="element actinide"><a class="symbol" href="system/No">102<br>No</a></td>
      <td class="element actinide"><a class="symbol" href="system/Lr">103<br>Lr</a></td>
      <td class="element empty"><br>
      </td>
    </tr>
  </tbody>
</table>
<h2>Alloy, Compound, Coarse-Grained and Fictional Potentials</h2>
<p>
  The following is a list of all of the multi-element systems and non-elemental materials that we
  host potentials for.  <strong>NOTE: be sure to read the potential descriptions!</strong> The
  multi-component potentials may not be applicable to the full composition range as they are
  often designed for specific compounds and/or composition ranges.  Coarse-grained potentials
  reduce the simulation complexity by representing alloy compositions or molecules with a single
  particle type.  Fictional potentials were purposefully fit to unrealistic target properties and
  therefore <i>should not</i> be used to accurately represent real materials.
</p>
<div class = "elem-group">
    
</div>
<hr/>

<h1>Citing</h1>
<p>
  If you find this website useful <strong>please cite this project in addition to any interatomic
  potentials you use:</strong>
</p>
<p>
  C.A. Becker, F. Tavazza, Z.T. Trautt, and R.A. Buarque de Macedoc (2013), "Considerations for
  choosing and using force fields and interatomic potentials in materials science and engineering,"
  <i>Current Opinion in Solid State and Materials Science</i>, <b>17</b>, 277-283. DOI:
   <a href="https://doi.org/10.1016/j.cossms.2013.10.001">10.1016/j.cossms.2013.10.001</a>
</p>
<p>
  L.M. Hale, Z.T. Trautt, and C.A. Becker (2018), "Evaluating variability with atomistic simulations:
  the effect of potential and calculation methodology on the modeling of lattice and elastic constants,"
  <i>Modelling and Simulation in Materials Science and Engineering</i>, <b>26</b>, 055003. DOI:
   <a href="https://doi.org/10.1088/1361-651X/aabc05">10.1088/1361-651X/aabc05</a>
</p>
<p>
  URL: <a href="https://www.ctcms.nist.gov/potentials">https://www.ctcms.nist.gov/potentials</a>
  Website DOI: <a href="https://doi.org/10.18434/m37"></a>10.18434/m37</a>
</p>
<hr/>

<h1>Submissions and Requests</h1>
<h2>Submissions</h2>
<p>
  New potentials can be submitted to the repository by sending an email to
  <a href="/cdn-cgi/l/email-protection#2d5d4259484359444c415e6d43445e59034a425b127e584f47484e591063485a081f1d5d4259484359444c41081f1d5e584f40445e5e444243" target="_top"><span class="__cf_email__" data-cfemail="ccbca3b8a9a2b8a5ada0bf8ca2a5bfb8e2aba3ba">[email&#160;protected]</span></a>.
  Note that we prefer to receive potential files directly from the developers to better ensure that
  the hosted implementations are consistent with the original version and that we have permission
  to share their work.
</p>
<p>
  If you submit a new potential, we ask for the following information:
  <ul>
    <li>
      <strong>Citation information associated with the potential.</strong>  For unpublished potentials, let us
      know who developed the model and the year it was created.  Publication information can be added later for
      works that are in preparation.
    </li>
    <li>
      <strong>Copies of any potential files or list of potential parameters to post, and what format they are
      in.</strong>  These can be in any format and for any class of interatomic potential.
    </li>
    <li>
      <strong>Any usage notes.</strong>  These are things such as "this potential was designed for..." or 
      "should not be used for ..." to make it clear what the model's intended usage is to website visitors.
    </li>
    <li>
      <strong>If needed, any additional notes relating to the implementation.</strong>  If the potential is
      in a non-standard format, describe the format and how it can be used.  If the potential files were
      converted from another format, provide conversion information and validation checks.  If it is an
      update/correction to an existing implementation, provide details.
    </li>
  </ul>
</p>
<p>
  <strong><a href="/cdn-cgi/l/email-protection#f68699829398829f979a85b6989f8582d8919980c9a583949c939582cbb89381d3c4c68699829398829f979ad3c4c68583949b9f85859f9998" target="_top">SUBMIT POTENTIAL</a></strong>  
</p>

<h2>Requests</h2>
<p>
  If you do not find the element or alloy potential you are seeking, send an email to <a href="/cdn-cgi/l/email-protection" class="__cf_email__" data-cfemail="98e8f7ecfdf6ecf1f9f4ebd8f6f1ebecb6fff7ee">[email&#160;protected]</a>,
  and we will post the request.  All of the potentials we have available are posted on the site. Please do
  not request that files be sent via email.  This site reflects what has been submitted, so it is not a 
  complete survey of interatomic potentials for any or all systems.
</p>
<p>
  <strong><a href="./requests.html">RECENT REQUESTS</a></strong>
</p>
<hr/>

<h1>Additional Resources</h1>
<p>
  Documentation and links to other internal and external resources.
</p>
<p>
  <strong><a href="./atomman/">ATOMMAN DOCUMENTATION</a></strong> describing the atomman Python package
  for setting up, running, and processing LAMMPS simulations.
</p>
<p>
  <strong><a href="./iprPy/">IPRPY DOCUMENTATION</a></strong> describing the iprPy
  calculation framework and the property calculations performed on this site.
</p>
<p>
  <strong><a href="./resources.html">LINKS TO EXTERNAL RESOURCES</a></strong> related to interatomic
  potentials, reference data, and anything else we think might be useful.
</p>
<hr/>

<h1>Workshops</h1>
<p>
  NIST and the Interatomic Potentials Repository have hosted a number of workshops on "Atomistic
  Simulations for Industrial Needs."
</p>
<p>
  <strong><a href="./activities.html">WORKSHOP INFORMATION AND AVAILABLE PRESENTATIONS</a></strong>
</p>
<hr/>

<h1>Website Information</h1>
<p>
  More information about the content hosted on the website and the website itself.
</p>
<p>
  <strong><a href="./faq.html">FREQUENTLY ASKED QUESTIONS</a></strong> about potentials formats and usage.
</p>
<p>
  <strong><a href="./refs.html">REFERENCES</a></strong> for all interatomic potentials listed at this site.
</p>
<p>
  <strong><a href="./new.html">UPDATES</a></strong> to the website and available content.
</p>
<p>
  <strong><a href="./credits.html">PEOPLE</a></strong> current and present that have contributed to the website.
<p>
      <div>Date Created: October 5, 2010 | Last updated: April 20, 2020</div>
      <br/>
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