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Can you post the lammps command you used? Also, you may need to add more data into your training set. |
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Hello,
I have trained a model for SiO2 and frozen it (the loss function converged and the predicted values were accurate). Then I run four lmp simulations to relax it with "fix NVT", but I got different results each time. In 3 of them, the structure was destroyed and the atoms dispersed, but in one of them, the cell was relaxed. Could you please help me with this issue?
Thanks,
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