#Fingerprint type BP #Rmins C O 0.01 0.01 #C-C, C-O 0.01 0.01 #O-C, O-O # type number G1 3 # center neighbor eta Rs rcut fpmin fpmax #(fpmin, fpmax values can be any number) C O 0.005 0.000 3.000 -1.000000000e+00 1.226304939e+00 O C 0.005 0.000 3.000 5.495786732e-01 6.767262663e-01 O O 0.050 0.000 3.000 -1.000000000e+00 5.073256082e-02 # type number G2 1 # center neighbor1 neighbor2 eta zeta lambda thetas rcut fpmin fpmax C O O 0.005 16.000 -1.000 0.000 3.000 -1.000000000e+00 3.899136323e-02 #MachineLearning model type atomic-NN #Activation function type tanh # sigmoid, relu #Model Structure 2 # number of hidden layers 5 5 # number of neurons of each layer #Model Parameters C # O #Energy Scaling Parameters NoScaler 1.00000000 0.00000000 #slope intercept