The NN-based potential was constructed following the Deep Potential (DP) scheme recently developed by Zhang et al. , which can accurately reproduce the interatomic forces and energies predicted by ab initio calculations in condensed matter systems. Figure shows the illustration of DP scheme. The PES is represented by a deep neural network model that interprets the atomic coordination (R) into interatomic forces (F) and energies (E). The deep neural network contains a filter (embedding) network with three layers (25, 50, 100 nodes/layer) and a fitting net with three layers (240 nodes/layer). The loss function (L) is defined as,