Table 4 Data distribution and applied weights on different types of data points in the initial training dataset
From: An electrostatic spectral neighbor analysis potential for lithium nitride
Type | Total configurations | Atoms in each configuration | Weight on energy | Weight on force |
|---|---|---|---|---|
Distorted unit cells | 109 | 4 | 103 | 0 |
AIMD snapshots | 1000 | 108 | 1 | 10−3 |
