Dataset2 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian"

<p>Supporting data for the paper &quot;General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian&quot;.&nbsp;</p> <p>Contains&nbsp;atomic structures and Hamiltonian matrices of bilayer bismuth selenide.&nbsp;</p> <p>Detailed descriptions about the format of data and&nbsp;instructions on&nbsp;how to reproduce the results in the paper can be found in README.md.</p>