𝑥 𝑖,eq = 𝑛 𝑖,eq 𝑛 eq = 𝑛 0,𝑖 + 𝜈 𝑖 𝜉 eq 𝑛 0 -2 𝜉 eq For the training of the neural network, different training data sets are generated. Sampling of the initial compositions is common to all generated data sets. Therefor molar fractions of all three components (N 2 , H 2 , NH 3 ) are picked according to the Dirichlet distribution from the range (0,1) . This means all training data sets contain not only stoichiometric but mainly random compositions that add to unity.