where the components of the vector k(p [Mg(H 2 O) 6 ] 2+ complex in the gas phase AL was initiated from 10 structures obtained by a random displacement of [Mg(H 2 O) 6 ] 2+ complex in the gas-phase. The new structures were selected using the similarity selector with a SOAP cut-off of 5 Å and threshold of 0.999, with the maximum time in the active training loop set to 3 ps. This procedure led to the selection of 30 structures.