遇见数据集

Nature-Inspired Hierarchical Building Materials with Low CO2 Emission and Superior Performance

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Figshare2025-02-26 更新2026-04-08 收录
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In structure files, it contains the atomic structures with states A, B and C.The dump_MLFF1.lammpstrj is the MD trajectory of Simulation MLFF 1, dump_MLFF2.lammpstrj is the MD trajectory of Simulation MLFF 2, and the The dump_MLFF3.lammpstrj is the MD trajectory of Simulation MLFF 3.

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2025-02-26
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