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. 2022 Jul 13;15(14):4883. doi: 10.3390/ma15144883

Figure 1.

Figure 1

Snapshots of initial atomic positions used for simulation of gold: nano-layer (periodic boundary conditions in x and y directions), nano-rod (periodic boundary conditions in the x direction), cubic, and octahedral NPs (no periodic boundary conditions) as used in XTANT-3 simulation.