MIT License

Copyright (c) 2025 Materials-SimPro Development Team

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

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## Third-Party Licenses

This software integrates with and/or is inspired by the following projects:

### Materials Project (Lawrence Berkeley National Laboratory)
- License: Custom (see https://materialsproject.org/about/terms)
- Used for: Materials database access

### OQMD (Northwestern University)
- License: Custom (see http://oqmd.org/static/docs/getting_started.html)
- Used for: Materials database access

### AFLOW (Duke University)
- License: Custom (see http://www.aflowlib.org)
- Used for: Materials database access

### VASP (Vienna Ab initio Simulation Package)
- License: Proprietary (requires license)
- Used for: DFT calculations (optional integration)

### Quantum ESPRESSO
- License: GPL v2
- Used for: DFT calculations (optional integration)

### LAMMPS (Sandia National Laboratories)
- License: GPL v2
- Used for: Molecular dynamics

### ASE (Atomic Simulation Environment)
- License: LGPL v2.1+
- Used for: Structure manipulation

### PyMatGen
- License: MIT
- Used for: Materials analysis

### PyTorch
- License: BSD-style
- Used for: Machine learning

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## Data Licenses

Materials database content is subject to respective database licenses:
- Materials Project data: CC-BY-4.0
- OQMD data: Custom (see OQMD terms)
- AFLOW data: Custom (see AFLOW terms)
- User-computed data: User retains ownership

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## Patent Notice

This software may be covered by patents. For commercial use inquiries,
please contact: materials-simpro@example.com

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## Export Control Notice

Some materials simulations may be subject to export control regulations.
Users are responsible for compliance with all applicable laws and regulations.

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For questions about licensing, please contact: materials-simpro@example.com
