. 2022 Jun 24;7(27):23255–23264. doi: 10.1021/acsomega.2c01359

Table 1. Shannon and Diversity Indexes for the Three Stoichiometries as a Function of the Number of Atoms per Cell^a.

	number of atoms	Ge_0.4Se_0.6	Ge_0.5Se_0.5	Ge_0.6Se_0.4
Shannon entropy, S_h	4480	6.41	6.11	5.7
	44,800	6.63	6.23	6.08
diversity index, D	4480	608	453	302
	44,800	758	508	441

The values of the S_h and D indexes for 4480 atoms correspond to the single configurations, while the 44,800 atoms refer to the enlarged cell, the resulting average over 10 trajectory snapshots.

Table 1. Shannon and Diversity Indexes for the Three Stoichiometries as a Function of the Number of Atoms per Cella.

Table 1. Shannon and Diversity Indexes for the Three Stoichiometries as a Function of the Number of Atoms per Cell^a.