Update README.md

kkly1995 · Aug 9, 2022 · f61ea03 · f61ea03
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-# LaH10
+# Data for modeling fcc-LaH<sub>10</sub>
 
+Here we provide the training / testing data, and subsequent DP models used in our paper. The data are given in two formats: exactly as was used in training (slightly outdated DP format) as well as the extended xyz format readable by ASE. Both the raw and subtracted energies, forces, and stresses are included. `deepmd-kit 1.3.4` was used for both training and simulation.