cos # cutoff type 1 # number of species # species 1 species 2 cutoff C C 5 #================================================================================ # symmetry functions #================================================================================ 2 # number of symmetry function types #sym_function rows cols g2 8 2 # eta Rs 3.571067672582810e-03 0 3.571067672582810e-02 0 7.142135345165630e-02 0 1.249873685403980e-01 0 2.142640603549690e-01 0 3.571067672582810e-01 0 7.142135345165630e-01 0 1.428427069033130e+00 0 g4 43 3 # zeta lambda eta 1 -1 3.571067672582810e-04 1 1 3.571067672582810e-04 2 -1 3.571067672582810e-04 2 1 3.571067672582810e-04 1 -1 1.071320301774840e-02 1 1 1.071320301774840e-02 2 -1 1.071320301774840e-02 2 1 1.071320301774840e-02 1 -1 2.856854138066250e-02 1 1 2.856854138066250e-02 2 -1 2.856854138066250e-02 2 1 2.856854138066250e-02 1 -1 5.356601508874220e-02 1 1 5.356601508874220e-02 2 -1 5.356601508874220e-02 2 1 5.356601508874220e-02 4 -1 5.356601508874220e-02 4 1 5.356601508874220e-02 16 -1 5.356601508874220e-02 16 1 5.356601508874220e-02 1 -1 8.927669181457031e-02 1 1 8.927669181457031e-02 2 -1 8.927669181457031e-02 2 1 8.927669181457031e-02 4 -1 8.927669181457031e-02 4 1 8.927669181457031e-02 16 -1 8.927669181457031e-02 16 1 8.927669181457031e-02 1 -1 1.606980452662270e-01 1 1 1.606980452662270e-01 2 -1 1.606980452662270e-01 2 1 1.606980452662270e-01 4 -1 1.606980452662270e-01 4 1 1.606980452662270e-01 16 -1 1.606980452662270e-01 16 1 1.606980452662270e-01 1 -1 2.856854138066250e-01 1 1 2.856854138066250e-01 2 -1 2.856854138066250e-01 2 1 2.856854138066250e-01 4 -1 2.856854138066250e-01 4 1 2.856854138066250e-01 16 1 2.856854138066250e-01 center_and_normalize True 51 # descriptors size # mean 8.553394232364308e+00 6.844521624611158e+00 5.475845785590965e+00 4.078115250583808e+00 2.702353227982696e+00 1.599851537674363e+00 6.108837052960923e-01 1.337019661617860e-01 5.496824433745425e+00 1.386744417440171e+01 2.959617206637642e+00 1.133023694729403e+01 4.571194999739851e+00 1.151890754285729e+01 2.471960486689059e+00 9.419673029806271e+00 3.372418190127959e+00 8.481865434173407e+00 1.836757932670527e+00 6.946205176715897e+00 2.259941919681727e+00 5.668808955044340e+00 1.243005838616920e+00 4.651872873979448e+00 6.265065766986758e-01 3.588015397981299e+00 1.011422463554221e-01 1.486312044490061e+00 1.330159781620411e+00 3.323244092783255e+00 7.423813878732584e-01 2.735465699036079e+00 3.735387777799328e-01 2.129115982364852e+00 4.680430663263604e-02 8.746440723006232e-01 5.113478793512096e-01 1.266480191653060e+00 2.944736401308280e-01 1.049605952432700e+00 1.494501793913713e-01 8.319031395671981e-01 1.139500582055893e-02 3.404427704816947e-01 1.161403246012088e-01 2.836720579823602e-01 7.022328306652402e-02 2.377550164476734e-01 3.677096312306729e-02 1.934723901006490e-01 8.045635679195912e-02 # standard deviation 1.057122211811347e+00 6.850389133731745e-01 4.298008988390757e-01 2.225008375507428e-01 9.045600758844315e-02 4.715204911147012e-02 2.965624001865483e-02 1.204332263492176e-02 6.412624028344530e-01 1.677462499298945e+00 2.635893599443770e-01 1.292438514289228e+00 4.789874301091558e-01 1.240118241646768e+00 2.026174912910550e-01 9.567371686464441e-01 2.978472335754484e-01 7.522111519649225e-01 1.340858316092985e-01 5.822661943491433e-01 1.653699694898747e-01 3.958483768709842e-01 8.278661915858761e-02 3.087925855863036e-01 4.085106054363551e-02 2.152809461546262e-01 1.128081824850065e-02 8.183579592221987e-02 8.597358261124871e-02 1.855442626365045e-01 4.936000642443102e-02 1.471261599617939e-01 2.650734426342755e-02 1.074802465825365e-01 5.554474142305196e-03 4.452921518734562e-02 3.680191380504326e-02 6.852922832673815e-02 2.368776983406245e-02 5.566451421588345e-02 1.298900171326213e-02 4.340135702059954e-02 1.530996864662726e-03 1.896883200645946e-02 1.191500514758941e-02 2.005035044707771e-02 8.064658558963052e-03 1.649543096297346e-02 4.423465239390970e-03 1.338072641265787e-02 5.943088778011568e-03