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Supplemental Information for the article: "Accelerating Structure Relaxation in Chemically Disordered Materials with a Chemistry-driven Model".

  1. Two test cases are provided: rigid structures in SBAcode-Example1 and flexible structures in SBAcode-Example2.
  2. Each directory contains the core codes used in our paper along with detailed usage instructions.
  3. The resulting structure files and test data can be found in the test_result_data folder.

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supporting information for SBA article

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