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

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.

本数据集的结构文件中包含了处于状态A、B与C的原子结构。其中dump_MLFF1.lammpstrj为模拟MLFF 1的分子动力学（Molecular Dynamics，简称MD）轨迹文件，dump_MLFF2.lammpstrj为模拟MLFF 2的MD轨迹文件，dump_MLFF3.lammpstrj则为模拟MLFF 3的MD轨迹文件。