├── .gitignore ├── LICENSE ├── README.md ├── ani_models ├── ani-1ccx_8x.info ├── ani-1ccx_8x │ ├── inputtrain.ipt │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ ├── sae_linfit.dat │ ├── train0 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train1 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train2 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train3 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train4 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train5 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train6 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ └── train7 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat ├── ani-1x_8x.info ├── ani-1x_8x │ ├── inputtrain.ipt │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ ├── sae_linfit.dat │ ├── train0 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train1 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train2 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train3 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train4 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train5 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ ├── train6 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ │ ├── ANN-C.nnf │ │ │ ├── ANN-C.nnf-l1.bparam │ │ │ ├── ANN-C.nnf-l1.wparam │ │ │ ├── ANN-C.nnf-l2.bparam │ │ │ ├── ANN-C.nnf-l2.wparam │ │ │ ├── ANN-C.nnf-l3.bparam │ │ │ ├── ANN-C.nnf-l3.wparam │ │ │ ├── ANN-C.nnf-l4.bparam │ │ │ ├── ANN-C.nnf-l4.wparam │ │ │ ├── ANN-H.nnf │ │ │ ├── ANN-H.nnf-l1.bparam │ │ │ ├── ANN-H.nnf-l1.wparam │ │ │ ├── ANN-H.nnf-l2.bparam │ │ │ ├── ANN-H.nnf-l2.wparam │ │ │ ├── ANN-H.nnf-l3.bparam │ │ │ ├── ANN-H.nnf-l3.wparam │ │ │ ├── ANN-H.nnf-l4.bparam │ │ │ ├── ANN-H.nnf-l4.wparam │ │ │ ├── ANN-N.nnf │ │ │ ├── ANN-N.nnf-l1.bparam │ │ │ ├── ANN-N.nnf-l1.wparam │ │ │ ├── ANN-N.nnf-l2.bparam │ │ │ ├── ANN-N.nnf-l2.wparam │ │ │ ├── ANN-N.nnf-l3.bparam │ │ │ ├── ANN-N.nnf-l3.wparam │ │ │ ├── ANN-N.nnf-l4.bparam │ │ │ ├── ANN-N.nnf-l4.wparam │ │ │ ├── ANN-O.nnf │ │ │ ├── ANN-O.nnf-l1.bparam │ │ │ ├── ANN-O.nnf-l1.wparam │ │ │ ├── ANN-O.nnf-l2.bparam │ │ │ ├── ANN-O.nnf-l2.wparam │ │ │ ├── ANN-O.nnf-l3.bparam │ │ │ ├── ANN-O.nnf-l3.wparam │ │ │ ├── ANN-O.nnf-l4.bparam │ │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat │ └── train7 │ │ ├── cost.dat │ │ ├── inputtrain.ipt │ │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ └── ANN-O.nnf-l4.wparam │ │ ├── output.opt │ │ ├── rHCNO-5.2R_16-3.5A_a4-8.params │ │ ├── sae_linfit.dat │ │ └── tolerance.dat ├── ani-2x_8x.info └── ani-2x_8x │ ├── inputtrain.ipt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ ├── train0 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train1 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train2 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train3 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train4 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train5 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ ├── train6 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ │ ├── ANN-C.nnf │ │ ├── ANN-C.nnf-l1.bparam │ │ ├── ANN-C.nnf-l1.wparam │ │ ├── ANN-C.nnf-l2.bparam │ │ ├── ANN-C.nnf-l2.wparam │ │ ├── ANN-C.nnf-l3.bparam │ │ ├── ANN-C.nnf-l3.wparam │ │ ├── ANN-C.nnf-l4.bparam │ │ ├── ANN-C.nnf-l4.wparam │ │ ├── ANN-Cl.nnf │ │ ├── ANN-Cl.nnf-l1.bparam │ │ ├── ANN-Cl.nnf-l1.wparam │ │ ├── ANN-Cl.nnf-l2.bparam │ │ ├── ANN-Cl.nnf-l2.wparam │ │ ├── ANN-Cl.nnf-l3.bparam │ │ ├── ANN-Cl.nnf-l3.wparam │ │ ├── ANN-Cl.nnf-l4.bparam │ │ ├── ANN-Cl.nnf-l4.wparam │ │ ├── ANN-F.nnf │ │ ├── ANN-F.nnf-l1.bparam │ │ ├── ANN-F.nnf-l1.wparam │ │ ├── ANN-F.nnf-l2.bparam │ │ ├── ANN-F.nnf-l2.wparam │ │ ├── ANN-F.nnf-l3.bparam │ │ ├── ANN-F.nnf-l3.wparam │ │ ├── ANN-F.nnf-l4.bparam │ │ ├── ANN-F.nnf-l4.wparam │ │ ├── ANN-H.nnf │ │ ├── ANN-H.nnf-l1.bparam │ │ ├── ANN-H.nnf-l1.wparam │ │ ├── ANN-H.nnf-l2.bparam │ │ ├── ANN-H.nnf-l2.wparam │ │ ├── ANN-H.nnf-l3.bparam │ │ ├── ANN-H.nnf-l3.wparam │ │ ├── ANN-H.nnf-l4.bparam │ │ ├── ANN-H.nnf-l4.wparam │ │ ├── ANN-N.nnf │ │ ├── ANN-N.nnf-l1.bparam │ │ ├── ANN-N.nnf-l1.wparam │ │ ├── ANN-N.nnf-l2.bparam │ │ ├── ANN-N.nnf-l2.wparam │ │ ├── ANN-N.nnf-l3.bparam │ │ ├── ANN-N.nnf-l3.wparam │ │ ├── ANN-N.nnf-l4.bparam │ │ ├── ANN-N.nnf-l4.wparam │ │ ├── ANN-O.nnf │ │ ├── ANN-O.nnf-l1.bparam │ │ ├── ANN-O.nnf-l1.wparam │ │ ├── ANN-O.nnf-l2.bparam │ │ ├── ANN-O.nnf-l2.wparam │ │ ├── ANN-O.nnf-l3.bparam │ │ ├── ANN-O.nnf-l3.wparam │ │ ├── ANN-O.nnf-l4.bparam │ │ ├── ANN-O.nnf-l4.wparam │ │ ├── ANN-S.nnf │ │ ├── ANN-S.nnf-l1.bparam │ │ ├── ANN-S.nnf-l1.wparam │ │ ├── ANN-S.nnf-l2.bparam │ │ ├── ANN-S.nnf-l2.wparam │ │ ├── ANN-S.nnf-l3.bparam │ │ ├── ANN-S.nnf-l3.wparam │ │ ├── ANN-S.nnf-l4.bparam │ │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat │ └── train7 │ ├── cost.dat │ ├── inputtrain.ipt │ ├── networks │ ├── ANN-C.nnf │ ├── ANN-C.nnf-l1.bparam │ ├── ANN-C.nnf-l1.wparam │ ├── ANN-C.nnf-l2.bparam │ ├── ANN-C.nnf-l2.wparam │ ├── ANN-C.nnf-l3.bparam │ ├── ANN-C.nnf-l3.wparam │ ├── ANN-C.nnf-l4.bparam │ ├── ANN-C.nnf-l4.wparam │ ├── ANN-Cl.nnf │ ├── ANN-Cl.nnf-l1.bparam │ ├── ANN-Cl.nnf-l1.wparam │ ├── ANN-Cl.nnf-l2.bparam │ ├── ANN-Cl.nnf-l2.wparam │ ├── ANN-Cl.nnf-l3.bparam │ ├── ANN-Cl.nnf-l3.wparam │ ├── ANN-Cl.nnf-l4.bparam │ ├── ANN-Cl.nnf-l4.wparam │ ├── ANN-F.nnf │ ├── ANN-F.nnf-l1.bparam │ ├── ANN-F.nnf-l1.wparam │ ├── ANN-F.nnf-l2.bparam │ ├── ANN-F.nnf-l2.wparam │ ├── ANN-F.nnf-l3.bparam │ ├── ANN-F.nnf-l3.wparam │ ├── ANN-F.nnf-l4.bparam │ ├── ANN-F.nnf-l4.wparam │ ├── ANN-H.nnf │ ├── ANN-H.nnf-l1.bparam │ ├── ANN-H.nnf-l1.wparam │ ├── ANN-H.nnf-l2.bparam │ ├── ANN-H.nnf-l2.wparam │ ├── ANN-H.nnf-l3.bparam │ ├── ANN-H.nnf-l3.wparam │ ├── ANN-H.nnf-l4.bparam │ ├── ANN-H.nnf-l4.wparam │ ├── ANN-N.nnf │ ├── ANN-N.nnf-l1.bparam │ ├── ANN-N.nnf-l1.wparam │ ├── ANN-N.nnf-l2.bparam │ ├── ANN-N.nnf-l2.wparam │ ├── ANN-N.nnf-l3.bparam │ ├── ANN-N.nnf-l3.wparam │ ├── ANN-N.nnf-l4.bparam │ ├── ANN-N.nnf-l4.wparam │ ├── ANN-O.nnf │ ├── ANN-O.nnf-l1.bparam │ ├── ANN-O.nnf-l1.wparam │ ├── ANN-O.nnf-l2.bparam │ ├── ANN-O.nnf-l2.wparam │ ├── ANN-O.nnf-l3.bparam │ ├── ANN-O.nnf-l3.wparam │ ├── ANN-O.nnf-l4.bparam │ ├── ANN-O.nnf-l4.wparam │ ├── ANN-S.nnf │ ├── ANN-S.nnf-l1.bparam │ ├── ANN-S.nnf-l1.wparam │ ├── ANN-S.nnf-l2.bparam │ ├── ANN-S.nnf-l2.wparam │ ├── ANN-S.nnf-l3.bparam │ ├── ANN-S.nnf-l3.wparam │ ├── ANN-S.nnf-l4.bparam │ └── ANN-S.nnf-l4.wparam │ ├── output.opt │ ├── rHCNOSFCl-5.1R_16-3.5A_a8-4.params │ ├── sae_linfit.dat │ └── tolerance.dat ├── bashrc_example.sh ├── env.sh ├── examples ├── NEB.ipynb ├── README.md ├── ani_quicktest.py ├── data │ ├── 3_3sigmatropic_rearrangement_indole.xyz │ ├── DA4endo.xyz │ ├── DA4exo.xyz │ ├── DA5endo.xyz │ ├── DA5exo.xyz │ ├── S66x10 │ │ ├── Geometries │ │ │ ├── S66by10_10_0.7_dimer.xyz │ │ │ ├── S66by10_10_0.7_dimer.xyz.com │ │ │ ├── S66by10_10_0.7_monomerA.xyz │ │ │ ├── S66by10_10_0.7_monomerB.xyz │ │ │ ├── S66by10_10_0.8_dimer.xyz │ │ │ ├── S66by10_10_0.8_dimer.xyz.com │ │ │ ├── S66by10_10_0.8_monomerA.xyz │ │ │ ├── S66by10_10_0.8_monomerB.xyz │ │ │ ├── S66by10_10_0.95_dimer.xyz │ │ │ ├── S66by10_10_0.95_dimer.xyz.com │ │ │ ├── S66by10_10_0.95_monomerA.xyz │ │ │ ├── S66by10_10_0.95_monomerB.xyz │ │ │ ├── S66by10_10_0.9_dimer.xyz │ │ │ ├── S66by10_10_0.9_dimer.xyz.com │ │ │ ├── S66by10_10_0.9_monomerA.xyz │ │ │ ├── S66by10_10_0.9_monomerB.xyz │ │ │ ├── S66by10_10_1.05_dimer.xyz │ │ │ ├── S66by10_10_1.05_dimer.xyz.com │ │ │ ├── S66by10_10_1.05_monomerA.xyz │ │ │ ├── S66by10_10_1.05_monomerB.xyz │ │ │ ├── S66by10_10_1.0_dimer.xyz │ │ │ ├── S66by10_10_1.0_dimer.xyz.com │ │ │ ├── S66by10_10_1.0_monomerA.xyz │ │ │ ├── S66by10_10_1.0_monomerB.xyz │ │ │ ├── S66by10_10_1.1_dimer.xyz │ │ │ ├── S66by10_10_1.1_dimer.xyz.com │ │ │ ├── S66by10_10_1.1_monomerA.xyz │ │ │ ├── S66by10_10_1.1_monomerB.xyz │ │ │ ├── S66by10_10_1.25_dimer.xyz │ │ │ ├── S66by10_10_1.25_dimer.xyz.com │ │ │ ├── S66by10_10_1.25_monomerA.xyz │ │ │ ├── S66by10_10_1.25_monomerB.xyz │ │ │ ├── S66by10_10_1.5_dimer.xyz │ │ │ ├── S66by10_10_1.5_dimer.xyz.com │ │ │ ├── S66by10_10_1.5_monomerA.xyz │ │ │ ├── S66by10_10_1.5_monomerB.xyz │ │ │ ├── S66by10_10_2.0_dimer.xyz │ │ │ ├── S66by10_10_2.0_dimer.xyz.com │ │ │ ├── S66by10_10_2.0_monomerA.xyz │ │ │ ├── S66by10_10_2.0_monomerA.xyz.com │ │ │ ├── S66by10_10_2.0_monomerB.xyz │ │ │ ├── S66by10_10_2.0_monomerB.xyz.com │ │ │ ├── S66by10_11_0.7_dimer.xyz │ │ │ ├── S66by10_11_0.7_dimer.xyz.com │ │ │ ├── S66by10_11_0.7_monomerA.xyz │ │ │ ├── S66by10_11_0.7_monomerB.xyz │ │ │ ├── S66by10_11_0.8_dimer.xyz │ │ │ ├── S66by10_11_0.8_dimer.xyz.com │ │ │ ├── S66by10_11_0.8_monomerA.xyz │ │ │ ├── S66by10_11_0.8_monomerB.xyz │ │ │ ├── S66by10_11_0.95_dimer.xyz │ │ │ ├── S66by10_11_0.95_dimer.xyz.com │ │ │ ├── S66by10_11_0.95_monomerA.xyz │ │ │ ├── S66by10_11_0.95_monomerB.xyz │ │ │ ├── S66by10_11_0.9_dimer.xyz │ │ │ ├── S66by10_11_0.9_dimer.xyz.com │ │ │ ├── S66by10_11_0.9_monomerA.xyz │ │ │ ├── S66by10_11_0.9_monomerB.xyz │ │ │ ├── S66by10_11_1.05_dimer.xyz │ │ │ ├── S66by10_11_1.05_dimer.xyz.com │ │ │ ├── S66by10_11_1.05_monomerA.xyz │ │ │ ├── S66by10_11_1.05_monomerB.xyz │ │ │ ├── S66by10_11_1.0_dimer.xyz │ │ │ ├── S66by10_11_1.0_dimer.xyz.com │ │ │ ├── S66by10_11_1.0_monomerA.xyz │ │ │ ├── S66by10_11_1.0_monomerB.xyz │ │ │ ├── S66by10_11_1.1_dimer.xyz │ │ │ ├── S66by10_11_1.1_dimer.xyz.com │ │ │ ├── S66by10_11_1.1_monomerA.xyz │ │ │ ├── S66by10_11_1.1_monomerB.xyz │ │ │ ├── S66by10_11_1.25_dimer.xyz │ │ │ ├── S66by10_11_1.25_dimer.xyz.com │ │ │ ├── S66by10_11_1.25_monomerA.xyz │ │ │ ├── S66by10_11_1.25_monomerB.xyz │ │ │ ├── S66by10_11_1.5_dimer.xyz │ │ │ ├── S66by10_11_1.5_dimer.xyz.com │ │ │ ├── S66by10_11_1.5_monomerA.xyz │ │ │ ├── S66by10_11_1.5_monomerB.xyz │ │ │ ├── S66by10_11_2.0_dimer.xyz │ │ │ ├── S66by10_11_2.0_dimer.xyz.com │ │ │ ├── S66by10_11_2.0_monomerA.xyz │ │ │ ├── S66by10_11_2.0_monomerA.xyz.com │ │ │ ├── S66by10_11_2.0_monomerB.xyz │ │ │ ├── S66by10_11_2.0_monomerB.xyz.com │ │ │ ├── S66by10_12_0.7_dimer.xyz │ │ │ ├── S66by10_12_0.7_dimer.xyz.com │ │ │ ├── S66by10_12_0.7_monomerA.xyz │ │ │ ├── S66by10_12_0.7_monomerB.xyz │ │ │ ├── S66by10_12_0.8_dimer.xyz │ │ │ ├── S66by10_12_0.8_dimer.xyz.com │ │ │ ├── S66by10_12_0.8_monomerA.xyz │ │ │ ├── S66by10_12_0.8_monomerB.xyz │ │ │ ├── S66by10_12_0.95_dimer.xyz │ │ │ ├── S66by10_12_0.95_dimer.xyz.com │ │ │ ├── S66by10_12_0.95_monomerA.xyz │ │ │ ├── S66by10_12_0.95_monomerB.xyz │ │ │ ├── S66by10_12_0.9_dimer.xyz │ │ │ ├── S66by10_12_0.9_dimer.xyz.com │ │ │ ├── S66by10_12_0.9_monomerA.xyz │ │ │ ├── S66by10_12_0.9_monomerB.xyz │ │ │ ├── S66by10_12_1.05_dimer.xyz │ │ │ ├── S66by10_12_1.05_dimer.xyz.com │ │ │ ├── S66by10_12_1.05_monomerA.xyz │ │ │ ├── S66by10_12_1.05_monomerB.xyz │ │ │ ├── S66by10_12_1.0_dimer.xyz │ │ │ ├── S66by10_12_1.0_dimer.xyz.com │ │ │ ├── S66by10_12_1.0_monomerA.xyz │ │ │ ├── S66by10_12_1.0_monomerB.xyz │ │ │ ├── S66by10_12_1.1_dimer.xyz │ │ │ ├── S66by10_12_1.1_dimer.xyz.com │ │ │ ├── S66by10_12_1.1_monomerA.xyz │ │ │ ├── S66by10_12_1.1_monomerB.xyz │ │ │ ├── S66by10_12_1.25_dimer.xyz │ │ │ ├── S66by10_12_1.25_dimer.xyz.com │ │ │ ├── S66by10_12_1.25_monomerA.xyz │ │ │ ├── S66by10_12_1.25_monomerB.xyz │ │ │ ├── S66by10_12_1.5_dimer.xyz │ │ │ ├── S66by10_12_1.5_dimer.xyz.com │ │ │ ├── S66by10_12_1.5_monomerA.xyz │ │ │ ├── S66by10_12_1.5_monomerB.xyz │ │ │ ├── S66by10_12_2.0_dimer.xyz │ │ │ ├── S66by10_12_2.0_dimer.xyz.com │ │ │ ├── S66by10_12_2.0_monomerA.xyz │ │ │ ├── S66by10_12_2.0_monomerA.xyz.com │ │ │ ├── S66by10_12_2.0_monomerB.xyz │ │ │ ├── S66by10_12_2.0_monomerB.xyz.com │ │ │ ├── S66by10_13_0.7_dimer.xyz │ │ │ ├── S66by10_13_0.7_dimer.xyz.com │ │ │ ├── S66by10_13_0.7_monomerA.xyz │ │ │ ├── S66by10_13_0.7_monomerB.xyz │ │ │ ├── S66by10_13_0.8_dimer.xyz │ │ │ ├── S66by10_13_0.8_dimer.xyz.com │ │ │ ├── S66by10_13_0.8_monomerA.xyz │ │ │ ├── S66by10_13_0.8_monomerB.xyz │ │ │ ├── S66by10_13_0.95_dimer.xyz │ │ │ ├── S66by10_13_0.95_dimer.xyz.com │ │ │ ├── S66by10_13_0.95_monomerA.xyz │ │ │ ├── S66by10_13_0.95_monomerB.xyz │ │ │ ├── S66by10_13_0.9_dimer.xyz │ │ │ ├── S66by10_13_0.9_dimer.xyz.com │ │ │ ├── S66by10_13_0.9_monomerA.xyz │ │ │ ├── S66by10_13_0.9_monomerB.xyz │ │ │ ├── S66by10_13_1.05_dimer.xyz │ │ │ ├── S66by10_13_1.05_dimer.xyz.com │ │ │ ├── S66by10_13_1.05_monomerA.xyz │ │ │ ├── S66by10_13_1.05_monomerB.xyz │ │ │ ├── S66by10_13_1.0_dimer.xyz │ │ │ ├── S66by10_13_1.0_dimer.xyz.com │ │ │ ├── S66by10_13_1.0_monomerA.xyz │ │ │ ├── S66by10_13_1.0_monomerB.xyz │ │ │ ├── S66by10_13_1.1_dimer.xyz │ │ │ ├── S66by10_13_1.1_dimer.xyz.com │ │ │ ├── S66by10_13_1.1_monomerA.xyz │ │ │ ├── S66by10_13_1.1_monomerB.xyz │ │ │ ├── S66by10_13_1.25_dimer.xyz │ │ │ ├── S66by10_13_1.25_dimer.xyz.com │ │ │ ├── S66by10_13_1.25_monomerA.xyz │ │ │ ├── S66by10_13_1.25_monomerB.xyz │ │ │ ├── S66by10_13_1.5_dimer.xyz │ │ │ ├── S66by10_13_1.5_dimer.xyz.com │ │ │ ├── S66by10_13_1.5_monomerA.xyz │ │ │ ├── S66by10_13_1.5_monomerB.xyz │ │ │ ├── S66by10_13_2.0_dimer.xyz │ │ │ ├── S66by10_13_2.0_dimer.xyz.com │ │ │ ├── S66by10_13_2.0_monomerA.xyz │ │ │ ├── S66by10_13_2.0_monomerA.xyz.com │ │ │ ├── S66by10_13_2.0_monomerB.xyz │ │ │ ├── S66by10_13_2.0_monomerB.xyz.com │ │ │ ├── S66by10_14_0.7_dimer.xyz │ │ │ ├── S66by10_14_0.7_dimer.xyz.com │ │ │ ├── S66by10_14_0.7_monomerA.xyz │ │ │ ├── S66by10_14_0.7_monomerB.xyz │ │ │ ├── S66by10_14_0.8_dimer.xyz │ │ │ ├── S66by10_14_0.8_dimer.xyz.com │ │ │ ├── S66by10_14_0.8_monomerA.xyz │ │ │ ├── S66by10_14_0.8_monomerB.xyz │ │ │ ├── S66by10_14_0.95_dimer.xyz │ │ │ ├── S66by10_14_0.95_dimer.xyz.com │ │ │ ├── S66by10_14_0.95_monomerA.xyz │ │ │ ├── S66by10_14_0.95_monomerB.xyz │ │ │ ├── S66by10_14_0.9_dimer.xyz │ │ │ ├── S66by10_14_0.9_dimer.xyz.com │ │ │ ├── S66by10_14_0.9_monomerA.xyz │ │ │ ├── S66by10_14_0.9_monomerB.xyz │ │ │ ├── S66by10_14_1.05_dimer.xyz │ │ │ ├── S66by10_14_1.05_dimer.xyz.com │ │ │ ├── S66by10_14_1.05_monomerA.xyz │ │ │ ├── S66by10_14_1.05_monomerB.xyz │ │ │ ├── S66by10_14_1.0_dimer.xyz │ │ │ ├── S66by10_14_1.0_dimer.xyz.com │ │ │ ├── S66by10_14_1.0_monomerA.xyz │ │ │ ├── S66by10_14_1.0_monomerB.xyz │ │ │ ├── S66by10_14_1.1_dimer.xyz │ │ │ ├── S66by10_14_1.1_dimer.xyz.com │ │ │ ├── S66by10_14_1.1_monomerA.xyz │ │ │ ├── S66by10_14_1.1_monomerB.xyz │ │ │ ├── S66by10_14_1.25_dimer.xyz │ │ │ ├── S66by10_14_1.25_dimer.xyz.com │ │ │ ├── S66by10_14_1.25_monomerA.xyz │ │ │ ├── S66by10_14_1.25_monomerB.xyz │ │ │ ├── S66by10_14_1.5_dimer.xyz │ │ │ ├── S66by10_14_1.5_dimer.xyz.com │ │ │ ├── S66by10_14_1.5_monomerA.xyz │ │ │ ├── S66by10_14_1.5_monomerB.xyz │ │ │ ├── S66by10_14_2.0_dimer.xyz │ │ │ ├── S66by10_14_2.0_dimer.xyz.com │ │ │ ├── S66by10_14_2.0_monomerA.xyz │ │ │ ├── S66by10_14_2.0_monomerA.xyz.com │ │ │ ├── S66by10_14_2.0_monomerB.xyz │ │ │ ├── S66by10_14_2.0_monomerB.xyz.com │ │ │ ├── S66by10_15_0.7_dimer.xyz │ │ │ ├── S66by10_15_0.7_dimer.xyz.com │ │ │ ├── S66by10_15_0.7_monomerA.xyz │ │ │ ├── S66by10_15_0.7_monomerB.xyz │ │ │ ├── S66by10_15_0.8_dimer.xyz │ │ │ ├── S66by10_15_0.8_dimer.xyz.com │ │ │ ├── S66by10_15_0.8_monomerA.xyz │ │ │ ├── S66by10_15_0.8_monomerB.xyz │ │ │ ├── S66by10_15_0.95_dimer.xyz │ │ │ ├── S66by10_15_0.95_dimer.xyz.com │ │ │ ├── S66by10_15_0.95_monomerA.xyz │ │ │ ├── S66by10_15_0.95_monomerB.xyz │ │ │ ├── S66by10_15_0.9_dimer.xyz │ │ │ ├── S66by10_15_0.9_dimer.xyz.com │ │ │ ├── S66by10_15_0.9_monomerA.xyz │ │ │ ├── S66by10_15_0.9_monomerB.xyz │ │ │ ├── S66by10_15_1.05_dimer.xyz │ │ │ ├── S66by10_15_1.05_dimer.xyz.com │ │ │ ├── S66by10_15_1.05_monomerA.xyz │ │ │ ├── S66by10_15_1.05_monomerB.xyz │ │ │ ├── S66by10_15_1.0_dimer.xyz │ │ │ ├── S66by10_15_1.0_dimer.xyz.com │ │ │ ├── S66by10_15_1.0_monomerA.xyz │ │ │ ├── S66by10_15_1.0_monomerB.xyz │ │ │ ├── S66by10_15_1.1_dimer.xyz │ │ │ ├── S66by10_15_1.1_dimer.xyz.com │ │ │ ├── S66by10_15_1.1_monomerA.xyz │ │ │ ├── S66by10_15_1.1_monomerB.xyz │ │ │ ├── S66by10_15_1.25_dimer.xyz │ │ │ ├── S66by10_15_1.25_dimer.xyz.com │ │ │ ├── S66by10_15_1.25_monomerA.xyz │ │ │ ├── S66by10_15_1.25_monomerB.xyz │ │ │ ├── S66by10_15_1.5_dimer.xyz │ │ │ ├── S66by10_15_1.5_dimer.xyz.com │ │ │ ├── S66by10_15_1.5_monomerA.xyz │ │ │ ├── S66by10_15_1.5_monomerB.xyz │ │ │ ├── S66by10_15_2.0_dimer.xyz │ │ │ ├── S66by10_15_2.0_dimer.xyz.com │ │ │ ├── S66by10_15_2.0_monomerA.xyz │ │ │ ├── S66by10_15_2.0_monomerA.xyz.com │ │ │ ├── S66by10_15_2.0_monomerB.xyz │ │ │ ├── S66by10_15_2.0_monomerB.xyz.com │ │ │ ├── S66by10_16_0.7_dimer.xyz │ │ │ ├── S66by10_16_0.7_dimer.xyz.com │ │ │ ├── S66by10_16_0.7_monomerA.xyz │ │ │ ├── S66by10_16_0.7_monomerB.xyz │ │ │ ├── S66by10_16_0.8_dimer.xyz │ │ │ ├── S66by10_16_0.8_dimer.xyz.com │ │ │ ├── S66by10_16_0.8_monomerA.xyz │ │ │ ├── S66by10_16_0.8_monomerB.xyz │ │ │ ├── S66by10_16_0.95_dimer.xyz │ │ │ ├── S66by10_16_0.95_dimer.xyz.com │ │ │ ├── S66by10_16_0.95_monomerA.xyz │ │ │ ├── S66by10_16_0.95_monomerB.xyz │ │ │ ├── S66by10_16_0.9_dimer.xyz │ │ │ ├── S66by10_16_0.9_dimer.xyz.com │ │ │ ├── S66by10_16_0.9_monomerA.xyz │ │ │ ├── S66by10_16_0.9_monomerB.xyz │ │ │ ├── S66by10_16_1.05_dimer.xyz │ │ │ ├── S66by10_16_1.05_dimer.xyz.com │ │ │ ├── S66by10_16_1.05_monomerA.xyz │ │ │ ├── S66by10_16_1.05_monomerB.xyz │ │ │ ├── S66by10_16_1.0_dimer.xyz │ │ │ ├── S66by10_16_1.0_dimer.xyz.com │ │ │ ├── S66by10_16_1.0_monomerA.xyz │ │ │ ├── S66by10_16_1.0_monomerB.xyz │ │ │ ├── S66by10_16_1.1_dimer.xyz │ │ │ ├── S66by10_16_1.1_dimer.xyz.com │ │ │ ├── S66by10_16_1.1_monomerA.xyz │ │ │ ├── S66by10_16_1.1_monomerB.xyz │ │ │ ├── S66by10_16_1.25_dimer.xyz │ │ │ ├── S66by10_16_1.25_dimer.xyz.com │ │ │ ├── S66by10_16_1.25_monomerA.xyz │ │ │ ├── S66by10_16_1.25_monomerB.xyz │ │ │ ├── S66by10_16_1.5_dimer.xyz │ │ │ ├── S66by10_16_1.5_dimer.xyz.com │ │ │ ├── S66by10_16_1.5_monomerA.xyz │ │ │ ├── S66by10_16_1.5_monomerB.xyz │ │ │ ├── S66by10_16_2.0_dimer.xyz │ │ │ ├── S66by10_16_2.0_dimer.xyz.com │ │ │ ├── S66by10_16_2.0_monomerA.xyz │ │ │ ├── S66by10_16_2.0_monomerA.xyz.com │ │ │ ├── S66by10_16_2.0_monomerB.xyz │ │ │ ├── S66by10_16_2.0_monomerB.xyz.com │ │ │ ├── S66by10_17_0.7_dimer.xyz │ │ │ ├── S66by10_17_0.7_dimer.xyz.com │ │ │ ├── S66by10_17_0.7_monomerA.xyz │ │ │ ├── S66by10_17_0.7_monomerB.xyz │ │ │ ├── S66by10_17_0.8_dimer.xyz │ │ │ ├── S66by10_17_0.8_dimer.xyz.com │ │ │ ├── S66by10_17_0.8_monomerA.xyz │ │ │ ├── S66by10_17_0.8_monomerB.xyz │ │ │ ├── S66by10_17_0.95_dimer.xyz │ │ │ ├── S66by10_17_0.95_dimer.xyz.com │ │ │ ├── S66by10_17_0.95_monomerA.xyz │ │ │ ├── S66by10_17_0.95_monomerB.xyz │ │ │ ├── S66by10_17_0.9_dimer.xyz │ │ │ ├── S66by10_17_0.9_dimer.xyz.com │ │ │ ├── S66by10_17_0.9_monomerA.xyz │ │ │ ├── S66by10_17_0.9_monomerB.xyz │ │ │ ├── S66by10_17_1.05_dimer.xyz │ │ │ ├── S66by10_17_1.05_dimer.xyz.com │ │ │ ├── S66by10_17_1.05_monomerA.xyz │ │ │ ├── S66by10_17_1.05_monomerB.xyz │ │ │ ├── S66by10_17_1.0_dimer.xyz │ │ │ ├── S66by10_17_1.0_dimer.xyz.com │ │ │ ├── S66by10_17_1.0_monomerA.xyz │ │ │ ├── S66by10_17_1.0_monomerB.xyz │ │ │ ├── S66by10_17_1.1_dimer.xyz │ │ │ ├── S66by10_17_1.1_dimer.xyz.com │ │ │ ├── S66by10_17_1.1_monomerA.xyz │ │ │ ├── S66by10_17_1.1_monomerB.xyz │ │ │ ├── S66by10_17_1.25_dimer.xyz │ │ │ ├── S66by10_17_1.25_dimer.xyz.com │ │ │ ├── S66by10_17_1.25_monomerA.xyz │ │ │ ├── S66by10_17_1.25_monomerB.xyz │ │ │ ├── S66by10_17_1.5_dimer.xyz │ │ │ ├── S66by10_17_1.5_dimer.xyz.com │ │ │ ├── S66by10_17_1.5_monomerA.xyz │ │ │ ├── S66by10_17_1.5_monomerB.xyz │ │ │ ├── S66by10_17_2.0_dimer.xyz │ │ │ ├── S66by10_17_2.0_dimer.xyz.com │ │ │ ├── S66by10_17_2.0_monomerA.xyz │ │ │ ├── S66by10_17_2.0_monomerA.xyz.com │ │ │ ├── S66by10_17_2.0_monomerB.xyz │ │ │ ├── S66by10_17_2.0_monomerB.xyz.com │ │ │ ├── S66by10_18_0.7_dimer.xyz │ │ │ ├── S66by10_18_0.7_dimer.xyz.com │ │ │ ├── S66by10_18_0.7_monomerA.xyz │ │ │ ├── S66by10_18_0.7_monomerB.xyz │ │ │ ├── S66by10_18_0.8_dimer.xyz │ │ │ ├── S66by10_18_0.8_dimer.xyz.com │ │ │ ├── S66by10_18_0.8_monomerA.xyz │ │ │ ├── S66by10_18_0.8_monomerB.xyz │ │ │ ├── S66by10_18_0.95_dimer.xyz │ │ │ ├── S66by10_18_0.95_dimer.xyz.com │ │ │ ├── S66by10_18_0.95_monomerA.xyz │ │ │ ├── S66by10_18_0.95_monomerB.xyz │ │ │ ├── S66by10_18_0.9_dimer.xyz │ │ │ ├── S66by10_18_0.9_dimer.xyz.com │ │ │ ├── S66by10_18_0.9_monomerA.xyz │ │ │ ├── S66by10_18_0.9_monomerB.xyz │ │ │ ├── S66by10_18_1.05_dimer.xyz │ │ │ ├── S66by10_18_1.05_dimer.xyz.com │ │ │ ├── S66by10_18_1.05_monomerA.xyz │ │ │ ├── S66by10_18_1.05_monomerB.xyz │ │ │ ├── S66by10_18_1.0_dimer.xyz │ │ │ ├── S66by10_18_1.0_dimer.xyz.com │ │ │ ├── S66by10_18_1.0_monomerA.xyz │ │ │ ├── S66by10_18_1.0_monomerB.xyz │ │ │ ├── S66by10_18_1.1_dimer.xyz │ │ │ ├── S66by10_18_1.1_dimer.xyz.com │ │ │ ├── S66by10_18_1.1_monomerA.xyz │ │ │ ├── S66by10_18_1.1_monomerB.xyz │ │ │ ├── S66by10_18_1.25_dimer.xyz │ │ │ ├── S66by10_18_1.25_dimer.xyz.com │ │ │ ├── S66by10_18_1.25_monomerA.xyz │ │ │ ├── S66by10_18_1.25_monomerB.xyz │ │ │ ├── S66by10_18_1.5_dimer.xyz │ │ │ ├── S66by10_18_1.5_dimer.xyz.com │ │ │ ├── S66by10_18_1.5_monomerA.xyz │ │ │ ├── S66by10_18_1.5_monomerB.xyz │ │ │ ├── S66by10_18_2.0_dimer.xyz │ │ │ ├── S66by10_18_2.0_dimer.xyz.com │ │ │ ├── S66by10_18_2.0_monomerA.xyz │ │ │ ├── S66by10_18_2.0_monomerA.xyz.com │ │ │ ├── S66by10_18_2.0_monomerB.xyz │ │ │ ├── S66by10_18_2.0_monomerB.xyz.com │ │ │ ├── S66by10_19_0.7_dimer.xyz │ │ │ ├── S66by10_19_0.7_dimer.xyz.com │ │ │ ├── S66by10_19_0.7_monomerA.xyz │ │ │ ├── S66by10_19_0.7_monomerB.xyz │ │ │ ├── S66by10_19_0.8_dimer.xyz │ │ │ ├── S66by10_19_0.8_dimer.xyz.com │ │ │ ├── S66by10_19_0.8_monomerA.xyz │ │ │ ├── S66by10_19_0.8_monomerB.xyz │ │ │ ├── S66by10_19_0.95_dimer.xyz │ │ │ ├── S66by10_19_0.95_dimer.xyz.com │ │ │ ├── S66by10_19_0.95_monomerA.xyz │ │ │ ├── S66by10_19_0.95_monomerB.xyz │ │ │ ├── S66by10_19_0.9_dimer.xyz │ │ │ ├── S66by10_19_0.9_dimer.xyz.com │ │ │ ├── S66by10_19_0.9_monomerA.xyz │ │ │ ├── S66by10_19_0.9_monomerB.xyz │ │ │ ├── S66by10_19_1.05_dimer.xyz │ │ │ ├── S66by10_19_1.05_dimer.xyz.com │ │ │ ├── S66by10_19_1.05_monomerA.xyz │ │ │ ├── S66by10_19_1.05_monomerB.xyz │ │ │ ├── S66by10_19_1.0_dimer.xyz │ │ │ ├── S66by10_19_1.0_dimer.xyz.com │ │ │ ├── S66by10_19_1.0_monomerA.xyz │ │ │ ├── S66by10_19_1.0_monomerB.xyz │ │ │ ├── S66by10_19_1.1_dimer.xyz │ │ │ ├── S66by10_19_1.1_dimer.xyz.com │ │ │ ├── S66by10_19_1.1_monomerA.xyz │ │ │ ├── S66by10_19_1.1_monomerB.xyz │ │ │ ├── S66by10_19_1.25_dimer.xyz │ │ │ ├── S66by10_19_1.25_dimer.xyz.com │ │ │ ├── S66by10_19_1.25_monomerA.xyz │ │ │ ├── S66by10_19_1.25_monomerB.xyz │ │ │ ├── S66by10_19_1.5_dimer.xyz │ │ │ ├── S66by10_19_1.5_dimer.xyz.com │ │ │ ├── S66by10_19_1.5_monomerA.xyz │ │ │ ├── S66by10_19_1.5_monomerB.xyz │ │ │ ├── S66by10_19_2.0_dimer.xyz │ │ │ ├── S66by10_19_2.0_dimer.xyz.com │ │ │ ├── S66by10_19_2.0_monomerA.xyz │ │ │ ├── S66by10_19_2.0_monomerA.xyz.com │ │ │ ├── S66by10_19_2.0_monomerB.xyz │ │ │ ├── S66by10_19_2.0_monomerB.xyz.com │ │ │ ├── S66by10_1_0.7_dimer.xyz │ │ │ ├── S66by10_1_0.7_dimer.xyz.com │ │ │ ├── S66by10_1_0.7_monomerA.xyz │ │ │ ├── S66by10_1_0.7_monomerB.xyz │ │ │ ├── S66by10_1_0.8_dimer.xyz │ │ │ ├── S66by10_1_0.8_dimer.xyz.com │ │ │ ├── S66by10_1_0.8_monomerA.xyz │ │ │ ├── S66by10_1_0.8_monomerB.xyz │ │ │ ├── S66by10_1_0.95_dimer.xyz │ │ │ ├── S66by10_1_0.95_dimer.xyz.com │ │ │ ├── S66by10_1_0.95_monomerA.xyz │ │ │ ├── S66by10_1_0.95_monomerB.xyz │ │ │ ├── S66by10_1_0.9_dimer.xyz │ │ │ ├── S66by10_1_0.9_dimer.xyz.com │ │ │ ├── S66by10_1_0.9_monomerA.xyz │ │ │ ├── S66by10_1_0.9_monomerB.xyz │ │ │ ├── S66by10_1_1.05_dimer.xyz │ │ │ ├── S66by10_1_1.05_dimer.xyz.com │ │ │ ├── S66by10_1_1.05_monomerA.xyz │ │ │ ├── S66by10_1_1.05_monomerB.xyz │ │ │ ├── S66by10_1_1.0_dimer.xyz │ │ │ ├── S66by10_1_1.0_dimer.xyz.com │ │ │ ├── S66by10_1_1.0_monomerA.xyz │ │ │ ├── S66by10_1_1.0_monomerB.xyz │ │ │ ├── S66by10_1_1.1_dimer.xyz │ │ │ ├── S66by10_1_1.1_dimer.xyz.com │ │ │ ├── S66by10_1_1.1_monomerA.xyz │ │ │ ├── S66by10_1_1.1_monomerB.xyz │ │ │ ├── S66by10_1_1.25_dimer.xyz │ │ │ ├── S66by10_1_1.25_dimer.xyz.com │ │ │ ├── S66by10_1_1.25_monomerA.xyz │ │ │ ├── S66by10_1_1.25_monomerB.xyz │ │ │ ├── S66by10_1_1.5_dimer.xyz │ │ │ ├── S66by10_1_1.5_dimer.xyz.com │ │ │ ├── S66by10_1_1.5_monomerA.xyz │ │ │ ├── S66by10_1_1.5_monomerB.xyz │ │ │ ├── S66by10_1_2.0_dimer.xyz │ │ │ ├── S66by10_1_2.0_dimer.xyz.com │ │ │ ├── S66by10_1_2.0_monomerA.xyz │ │ │ ├── S66by10_1_2.0_monomerA.xyz.com │ │ │ ├── S66by10_1_2.0_monomerB.xyz │ │ │ ├── S66by10_1_2.0_monomerB.xyz.com │ │ │ ├── S66by10_20_0.7_dimer.xyz │ │ │ ├── S66by10_20_0.7_dimer.xyz.com │ │ │ ├── S66by10_20_0.7_monomerA.xyz │ │ │ ├── S66by10_20_0.7_monomerB.xyz │ │ │ ├── S66by10_20_0.8_dimer.xyz │ │ │ ├── S66by10_20_0.8_dimer.xyz.com │ │ │ ├── S66by10_20_0.8_monomerA.xyz │ │ │ ├── S66by10_20_0.8_monomerB.xyz │ │ │ ├── S66by10_20_0.95_dimer.xyz │ │ │ ├── S66by10_20_0.95_dimer.xyz.com │ │ │ ├── S66by10_20_0.95_monomerA.xyz │ │ │ ├── S66by10_20_0.95_monomerB.xyz │ │ │ ├── S66by10_20_0.9_dimer.xyz │ │ │ ├── S66by10_20_0.9_dimer.xyz.com │ │ │ ├── S66by10_20_0.9_monomerA.xyz │ │ │ ├── S66by10_20_0.9_monomerB.xyz │ │ │ ├── S66by10_20_1.05_dimer.xyz │ │ │ ├── S66by10_20_1.05_dimer.xyz.com │ │ │ ├── S66by10_20_1.05_monomerA.xyz │ │ │ ├── S66by10_20_1.05_monomerB.xyz │ │ │ ├── S66by10_20_1.0_dimer.xyz │ │ │ ├── S66by10_20_1.0_dimer.xyz.com │ │ │ ├── S66by10_20_1.0_monomerA.xyz │ │ │ ├── S66by10_20_1.0_monomerB.xyz │ │ │ ├── S66by10_20_1.1_dimer.xyz │ │ │ ├── S66by10_20_1.1_dimer.xyz.com │ │ │ ├── S66by10_20_1.1_monomerA.xyz │ │ │ ├── S66by10_20_1.1_monomerB.xyz │ │ │ ├── S66by10_20_1.25_dimer.xyz │ │ │ ├── S66by10_20_1.25_dimer.xyz.com │ │ │ ├── S66by10_20_1.25_monomerA.xyz │ │ │ ├── S66by10_20_1.25_monomerB.xyz │ │ │ ├── S66by10_20_1.5_dimer.xyz │ │ │ ├── S66by10_20_1.5_dimer.xyz.com │ │ │ ├── S66by10_20_1.5_monomerA.xyz │ │ │ ├── S66by10_20_1.5_monomerB.xyz │ │ │ ├── S66by10_20_2.0_dimer.xyz │ │ │ ├── S66by10_20_2.0_dimer.xyz.com │ │ │ ├── S66by10_20_2.0_monomerA.xyz │ │ │ ├── S66by10_20_2.0_monomerA.xyz.com │ │ │ ├── S66by10_20_2.0_monomerB.xyz │ │ │ ├── S66by10_20_2.0_monomerB.xyz.com │ │ │ ├── S66by10_21_0.7_dimer.xyz │ │ │ ├── S66by10_21_0.7_dimer.xyz.com │ │ │ ├── S66by10_21_0.7_monomerA.xyz │ │ │ ├── S66by10_21_0.7_monomerB.xyz │ │ │ ├── S66by10_21_0.8_dimer.xyz │ │ │ ├── S66by10_21_0.8_dimer.xyz.com │ │ │ ├── S66by10_21_0.8_monomerA.xyz │ │ │ ├── S66by10_21_0.8_monomerB.xyz │ │ │ ├── S66by10_21_0.95_dimer.xyz │ │ │ ├── S66by10_21_0.95_dimer.xyz.com │ │ │ ├── S66by10_21_0.95_monomerA.xyz │ │ │ ├── S66by10_21_0.95_monomerB.xyz │ │ │ ├── S66by10_21_0.9_dimer.xyz │ │ │ ├── S66by10_21_0.9_dimer.xyz.com │ │ │ ├── S66by10_21_0.9_monomerA.xyz │ │ │ ├── S66by10_21_0.9_monomerB.xyz │ │ │ ├── S66by10_21_1.05_dimer.xyz │ │ │ ├── S66by10_21_1.05_dimer.xyz.com │ │ │ ├── S66by10_21_1.05_monomerA.xyz │ │ │ ├── S66by10_21_1.05_monomerB.xyz │ │ │ ├── S66by10_21_1.0_dimer.xyz │ │ │ ├── S66by10_21_1.0_dimer.xyz.com │ │ │ ├── S66by10_21_1.0_monomerA.xyz │ │ │ ├── S66by10_21_1.0_monomerB.xyz │ │ │ ├── S66by10_21_1.1_dimer.xyz │ │ │ ├── S66by10_21_1.1_dimer.xyz.com │ │ │ ├── S66by10_21_1.1_monomerA.xyz │ │ │ ├── S66by10_21_1.1_monomerB.xyz │ │ │ ├── S66by10_21_1.25_dimer.xyz │ │ │ ├── S66by10_21_1.25_dimer.xyz.com │ │ │ ├── S66by10_21_1.25_monomerA.xyz │ │ │ ├── S66by10_21_1.25_monomerB.xyz │ │ │ ├── S66by10_21_1.5_dimer.xyz │ │ │ ├── S66by10_21_1.5_dimer.xyz.com │ │ │ ├── S66by10_21_1.5_monomerA.xyz │ │ │ ├── S66by10_21_1.5_monomerB.xyz │ │ │ ├── S66by10_21_2.0_dimer.xyz │ │ │ ├── S66by10_21_2.0_dimer.xyz.com │ │ │ ├── S66by10_21_2.0_monomerA.xyz │ │ │ ├── S66by10_21_2.0_monomerA.xyz.com │ │ │ ├── S66by10_21_2.0_monomerB.xyz │ │ │ ├── S66by10_21_2.0_monomerB.xyz.com │ │ │ ├── S66by10_22_0.7_dimer.xyz │ │ │ ├── S66by10_22_0.7_dimer.xyz.com │ │ │ ├── S66by10_22_0.7_monomerA.xyz │ │ │ ├── S66by10_22_0.7_monomerB.xyz │ │ │ ├── S66by10_22_0.8_dimer.xyz │ │ │ ├── S66by10_22_0.8_dimer.xyz.com │ │ │ ├── S66by10_22_0.8_monomerA.xyz │ │ │ ├── S66by10_22_0.8_monomerB.xyz │ │ │ ├── S66by10_22_0.95_dimer.xyz │ │ │ ├── S66by10_22_0.95_dimer.xyz.com │ │ │ ├── S66by10_22_0.95_monomerA.xyz │ │ │ ├── S66by10_22_0.95_monomerB.xyz │ │ │ ├── S66by10_22_0.9_dimer.xyz │ │ │ ├── S66by10_22_0.9_dimer.xyz.com │ │ │ ├── S66by10_22_0.9_monomerA.xyz │ │ │ ├── S66by10_22_0.9_monomerB.xyz │ │ │ ├── S66by10_22_1.05_dimer.xyz │ │ │ ├── S66by10_22_1.05_dimer.xyz.com │ │ │ ├── S66by10_22_1.05_monomerA.xyz │ │ │ ├── S66by10_22_1.05_monomerB.xyz │ │ │ ├── S66by10_22_1.0_dimer.xyz │ │ │ ├── S66by10_22_1.0_dimer.xyz.com │ │ │ ├── S66by10_22_1.0_monomerA.xyz │ │ │ ├── S66by10_22_1.0_monomerB.xyz │ │ │ ├── S66by10_22_1.1_dimer.xyz │ │ │ ├── S66by10_22_1.1_dimer.xyz.com │ │ │ ├── S66by10_22_1.1_monomerA.xyz │ │ │ ├── S66by10_22_1.1_monomerB.xyz │ │ │ ├── S66by10_22_1.25_dimer.xyz │ │ │ ├── S66by10_22_1.25_dimer.xyz.com │ │ │ ├── S66by10_22_1.25_monomerA.xyz │ │ │ ├── S66by10_22_1.25_monomerB.xyz │ │ │ ├── S66by10_22_1.5_dimer.xyz │ │ │ ├── S66by10_22_1.5_dimer.xyz.com │ │ │ ├── S66by10_22_1.5_monomerA.xyz │ │ │ ├── S66by10_22_1.5_monomerB.xyz │ │ │ ├── S66by10_22_2.0_dimer.xyz │ │ │ ├── S66by10_22_2.0_dimer.xyz.com │ │ │ ├── S66by10_22_2.0_monomerA.xyz │ │ │ ├── S66by10_22_2.0_monomerA.xyz.com │ │ │ ├── S66by10_22_2.0_monomerB.xyz │ │ │ ├── S66by10_22_2.0_monomerB.xyz.com │ │ │ ├── S66by10_23_0.7_dimer.xyz │ │ │ ├── S66by10_23_0.7_dimer.xyz.com │ │ │ ├── S66by10_23_0.7_monomerA.xyz │ │ │ ├── S66by10_23_0.7_monomerB.xyz │ │ │ ├── S66by10_23_0.8_dimer.xyz │ │ │ ├── S66by10_23_0.8_dimer.xyz.com │ │ │ ├── S66by10_23_0.8_monomerA.xyz │ │ │ ├── S66by10_23_0.8_monomerB.xyz │ │ │ ├── S66by10_23_0.95_dimer.xyz │ │ │ ├── S66by10_23_0.95_dimer.xyz.com │ │ │ ├── S66by10_23_0.95_monomerA.xyz │ │ │ ├── S66by10_23_0.95_monomerB.xyz │ │ │ ├── S66by10_23_0.9_dimer.xyz │ │ │ ├── S66by10_23_0.9_dimer.xyz.com │ │ │ ├── S66by10_23_0.9_monomerA.xyz │ │ │ ├── S66by10_23_0.9_monomerB.xyz │ │ │ ├── S66by10_23_1.05_dimer.xyz │ │ │ ├── S66by10_23_1.05_dimer.xyz.com │ │ │ ├── S66by10_23_1.05_monomerA.xyz │ │ │ ├── S66by10_23_1.05_monomerB.xyz │ │ │ ├── S66by10_23_1.0_dimer.xyz │ │ │ ├── S66by10_23_1.0_dimer.xyz.com │ │ │ ├── S66by10_23_1.0_monomerA.xyz │ │ │ ├── S66by10_23_1.0_monomerB.xyz │ │ │ ├── S66by10_23_1.1_dimer.xyz │ │ │ ├── S66by10_23_1.1_dimer.xyz.com │ │ │ ├── S66by10_23_1.1_monomerA.xyz │ │ │ ├── S66by10_23_1.1_monomerB.xyz │ │ │ ├── S66by10_23_1.25_dimer.xyz │ │ │ ├── S66by10_23_1.25_dimer.xyz.com │ │ │ ├── S66by10_23_1.25_monomerA.xyz │ │ │ ├── S66by10_23_1.25_monomerB.xyz │ │ │ ├── S66by10_23_1.5_dimer.xyz │ │ │ ├── S66by10_23_1.5_dimer.xyz.com │ │ │ ├── S66by10_23_1.5_monomerA.xyz │ │ │ ├── S66by10_23_1.5_monomerB.xyz │ │ │ ├── S66by10_23_2.0_dimer.xyz │ │ │ ├── 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S66by10_2_1.25_monomerA.xyz │ │ │ ├── S66by10_2_1.25_monomerB.xyz │ │ │ ├── S66by10_2_1.5_dimer.xyz │ │ │ ├── S66by10_2_1.5_dimer.xyz.com │ │ │ ├── S66by10_2_1.5_monomerA.xyz │ │ │ ├── S66by10_2_1.5_monomerB.xyz │ │ │ ├── S66by10_2_2.0_dimer.xyz │ │ │ ├── S66by10_2_2.0_dimer.xyz.com │ │ │ ├── S66by10_2_2.0_monomerA.xyz │ │ │ ├── S66by10_2_2.0_monomerA.xyz.com │ │ │ ├── S66by10_2_2.0_monomerB.xyz │ │ │ ├── S66by10_2_2.0_monomerB.xyz.com │ │ │ ├── S66by10_30_0.7_dimer.xyz │ │ │ ├── S66by10_30_0.7_dimer.xyz.com │ │ │ ├── S66by10_30_0.7_monomerA.xyz │ │ │ ├── S66by10_30_0.7_monomerB.xyz │ │ │ ├── S66by10_30_0.8_dimer.xyz │ │ │ ├── S66by10_30_0.8_dimer.xyz.com │ │ │ ├── S66by10_30_0.8_monomerA.xyz │ │ │ ├── S66by10_30_0.8_monomerB.xyz │ │ │ ├── S66by10_30_0.95_dimer.xyz │ │ │ ├── S66by10_30_0.95_dimer.xyz.com │ │ │ ├── S66by10_30_0.95_monomerA.xyz │ │ │ ├── S66by10_30_0.95_monomerB.xyz │ │ │ ├── S66by10_30_0.9_dimer.xyz │ │ │ ├── S66by10_30_0.9_dimer.xyz.com │ │ │ ├── S66by10_30_0.9_monomerA.xyz │ │ │ ├── S66by10_30_0.9_monomerB.xyz │ │ │ ├── S66by10_30_1.05_dimer.xyz │ │ │ ├── S66by10_30_1.05_dimer.xyz.com │ │ │ ├── S66by10_30_1.05_monomerA.xyz │ │ │ ├── S66by10_30_1.05_monomerB.xyz │ │ │ ├── S66by10_30_1.0_dimer.xyz │ │ │ ├── S66by10_30_1.0_dimer.xyz.com │ │ │ ├── S66by10_30_1.0_monomerA.xyz │ │ │ ├── S66by10_30_1.0_monomerB.xyz │ │ │ ├── S66by10_30_1.1_dimer.xyz │ │ │ ├── S66by10_30_1.1_dimer.xyz.com │ │ │ ├── S66by10_30_1.1_monomerA.xyz │ │ │ ├── S66by10_30_1.1_monomerB.xyz │ │ │ ├── S66by10_30_1.25_dimer.xyz │ │ │ ├── S66by10_30_1.25_dimer.xyz.com │ │ │ ├── S66by10_30_1.25_monomerA.xyz │ │ │ ├── S66by10_30_1.25_monomerB.xyz │ │ │ ├── S66by10_30_1.5_dimer.xyz │ │ │ ├── S66by10_30_1.5_dimer.xyz.com │ │ │ ├── S66by10_30_1.5_monomerA.xyz │ │ │ ├── S66by10_30_1.5_monomerB.xyz │ │ │ ├── S66by10_30_2.0_dimer.xyz │ │ │ ├── S66by10_30_2.0_dimer.xyz.com │ │ │ ├── S66by10_30_2.0_monomerA.xyz │ │ │ ├── S66by10_30_2.0_monomerA.xyz.com │ │ │ ├── S66by10_30_2.0_monomerB.xyz │ │ │ ├── S66by10_30_2.0_monomerB.xyz.com │ │ │ ├── S66by10_31_0.7_dimer.xyz │ │ │ ├── S66by10_31_0.7_dimer.xyz.com │ │ │ ├── S66by10_31_0.7_monomerA.xyz │ │ │ ├── S66by10_31_0.7_monomerB.xyz │ │ │ ├── S66by10_31_0.8_dimer.xyz │ │ │ ├── S66by10_31_0.8_dimer.xyz.com │ │ │ ├── S66by10_31_0.8_monomerA.xyz │ │ │ ├── S66by10_31_0.8_monomerB.xyz │ │ │ ├── S66by10_31_0.95_dimer.xyz │ │ │ ├── S66by10_31_0.95_dimer.xyz.com │ │ │ ├── S66by10_31_0.95_monomerA.xyz │ │ │ ├── S66by10_31_0.95_monomerB.xyz │ │ │ ├── S66by10_31_0.9_dimer.xyz │ │ │ ├── S66by10_31_0.9_dimer.xyz.com │ │ │ ├── S66by10_31_0.9_monomerA.xyz │ │ │ ├── S66by10_31_0.9_monomerB.xyz │ │ │ ├── S66by10_31_1.05_dimer.xyz │ │ │ ├── S66by10_31_1.05_dimer.xyz.com │ │ │ ├── S66by10_31_1.05_monomerA.xyz │ │ │ ├── S66by10_31_1.05_monomerB.xyz │ │ │ ├── S66by10_31_1.0_dimer.xyz │ │ │ ├── S66by10_31_1.0_dimer.xyz.com │ │ │ ├── S66by10_31_1.0_monomerA.xyz │ │ │ ├── S66by10_31_1.0_monomerB.xyz │ │ │ ├── S66by10_31_1.1_dimer.xyz │ │ │ ├── S66by10_31_1.1_dimer.xyz.com │ │ │ ├── S66by10_31_1.1_monomerA.xyz │ │ │ ├── S66by10_31_1.1_monomerB.xyz │ │ │ ├── S66by10_31_1.25_dimer.xyz │ │ │ ├── S66by10_31_1.25_dimer.xyz.com │ │ │ ├── S66by10_31_1.25_monomerA.xyz │ │ │ ├── S66by10_31_1.25_monomerB.xyz │ │ │ ├── S66by10_31_1.5_dimer.xyz │ │ │ ├── S66by10_31_1.5_dimer.xyz.com │ │ │ ├── S66by10_31_1.5_monomerA.xyz │ │ │ ├── S66by10_31_1.5_monomerB.xyz │ │ │ ├── S66by10_31_2.0_dimer.xyz │ │ │ ├── S66by10_31_2.0_dimer.xyz.com │ │ │ ├── S66by10_31_2.0_monomerA.xyz │ │ │ ├── S66by10_31_2.0_monomerA.xyz.com │ │ │ ├── S66by10_31_2.0_monomerB.xyz │ │ │ ├── S66by10_31_2.0_monomerB.xyz.com │ │ │ ├── S66by10_32_0.7_dimer.xyz │ │ │ ├── S66by10_32_0.7_dimer.xyz.com │ │ │ ├── S66by10_32_0.7_monomerA.xyz │ │ │ ├── S66by10_32_0.7_monomerB.xyz │ │ │ ├── S66by10_32_0.8_dimer.xyz │ │ │ ├── S66by10_32_0.8_dimer.xyz.com │ │ │ ├── S66by10_32_0.8_monomerA.xyz │ │ │ ├── S66by10_32_0.8_monomerB.xyz │ │ │ ├── S66by10_32_0.95_dimer.xyz │ │ │ ├── S66by10_32_0.95_dimer.xyz.com │ │ │ ├── S66by10_32_0.95_monomerA.xyz │ │ │ ├── S66by10_32_0.95_monomerB.xyz │ │ │ ├── S66by10_32_0.9_dimer.xyz │ │ │ ├── S66by10_32_0.9_dimer.xyz.com │ │ │ ├── S66by10_32_0.9_monomerA.xyz │ │ │ ├── S66by10_32_0.9_monomerB.xyz │ │ │ ├── S66by10_32_1.05_dimer.xyz │ │ │ ├── S66by10_32_1.05_dimer.xyz.com │ │ │ ├── S66by10_32_1.05_monomerA.xyz │ │ │ ├── S66by10_32_1.05_monomerB.xyz │ │ │ ├── S66by10_32_1.0_dimer.xyz │ │ │ ├── S66by10_32_1.0_dimer.xyz.com │ │ │ ├── S66by10_32_1.0_monomerA.xyz │ │ │ ├── S66by10_32_1.0_monomerB.xyz │ │ │ ├── S66by10_32_1.1_dimer.xyz │ │ │ ├── S66by10_32_1.1_dimer.xyz.com │ │ │ ├── S66by10_32_1.1_monomerA.xyz │ │ │ ├── S66by10_32_1.1_monomerB.xyz │ │ │ ├── S66by10_32_1.25_dimer.xyz │ │ │ ├── S66by10_32_1.25_dimer.xyz.com │ │ │ ├── S66by10_32_1.25_monomerA.xyz │ │ │ ├── S66by10_32_1.25_monomerB.xyz │ │ │ ├── S66by10_32_1.5_dimer.xyz │ │ │ ├── S66by10_32_1.5_dimer.xyz.com │ │ │ ├── S66by10_32_1.5_monomerA.xyz │ │ │ ├── S66by10_32_1.5_monomerB.xyz │ │ │ ├── S66by10_32_2.0_dimer.xyz │ │ │ ├── S66by10_32_2.0_dimer.xyz.com │ │ │ ├── S66by10_32_2.0_monomerA.xyz │ │ │ ├── S66by10_32_2.0_monomerA.xyz.com │ │ │ ├── S66by10_32_2.0_monomerB.xyz │ │ │ ├── S66by10_32_2.0_monomerB.xyz.com │ │ │ ├── S66by10_33_0.7_dimer.xyz │ │ │ ├── S66by10_33_0.7_dimer.xyz.com │ │ │ ├── S66by10_33_0.7_monomerA.xyz │ │ │ ├── S66by10_33_0.7_monomerB.xyz │ │ │ ├── S66by10_33_0.8_dimer.xyz │ │ │ ├── S66by10_33_0.8_dimer.xyz.com │ │ │ ├── S66by10_33_0.8_monomerA.xyz │ │ │ ├── S66by10_33_0.8_monomerB.xyz │ │ │ ├── S66by10_33_0.95_dimer.xyz │ │ │ ├── S66by10_33_0.95_dimer.xyz.com │ │ │ ├── S66by10_33_0.95_monomerA.xyz │ │ │ ├── S66by10_33_0.95_monomerB.xyz │ │ │ ├── S66by10_33_0.9_dimer.xyz │ │ │ ├── S66by10_33_0.9_dimer.xyz.com │ │ │ ├── S66by10_33_0.9_monomerA.xyz │ │ │ ├── S66by10_33_0.9_monomerB.xyz │ │ │ ├── S66by10_33_1.05_dimer.xyz │ │ │ ├── S66by10_33_1.05_dimer.xyz.com │ │ │ ├── S66by10_33_1.05_monomerA.xyz │ │ │ ├── S66by10_33_1.05_monomerB.xyz │ │ │ ├── S66by10_33_1.0_dimer.xyz │ │ │ ├── S66by10_33_1.0_dimer.xyz.com │ │ │ ├── S66by10_33_1.0_monomerA.xyz │ │ │ ├── S66by10_33_1.0_monomerB.xyz │ │ │ ├── S66by10_33_1.1_dimer.xyz │ │ │ ├── S66by10_33_1.1_dimer.xyz.com │ │ │ ├── S66by10_33_1.1_monomerA.xyz │ │ │ ├── S66by10_33_1.1_monomerB.xyz │ │ │ ├── S66by10_33_1.25_dimer.xyz │ │ │ ├── S66by10_33_1.25_dimer.xyz.com │ │ │ ├── S66by10_33_1.25_monomerA.xyz │ │ │ ├── S66by10_33_1.25_monomerB.xyz │ │ │ ├── S66by10_33_1.5_dimer.xyz │ │ │ ├── S66by10_33_1.5_dimer.xyz.com │ │ │ ├── S66by10_33_1.5_monomerA.xyz │ │ │ ├── S66by10_33_1.5_monomerB.xyz │ │ │ ├── S66by10_33_2.0_dimer.xyz │ │ │ ├── S66by10_33_2.0_dimer.xyz.com │ │ │ ├── S66by10_33_2.0_monomerA.xyz │ │ │ ├── S66by10_33_2.0_monomerA.xyz.com │ │ │ ├── S66by10_33_2.0_monomerB.xyz │ │ │ ├── S66by10_33_2.0_monomerB.xyz.com │ │ │ ├── S66by10_34_0.7_dimer.xyz │ │ │ ├── S66by10_34_0.7_dimer.xyz.com │ │ │ ├── S66by10_34_0.7_monomerA.xyz │ │ │ ├── S66by10_34_0.7_monomerB.xyz │ │ │ ├── S66by10_34_0.8_dimer.xyz │ │ │ ├── S66by10_34_0.8_dimer.xyz.com │ │ │ ├── S66by10_34_0.8_monomerA.xyz │ │ │ ├── S66by10_34_0.8_monomerB.xyz │ │ │ ├── S66by10_34_0.95_dimer.xyz │ │ │ ├── S66by10_34_0.95_dimer.xyz.com │ │ │ ├── S66by10_34_0.95_monomerA.xyz │ │ │ ├── S66by10_34_0.95_monomerB.xyz │ │ │ ├── S66by10_34_0.9_dimer.xyz │ │ │ ├── S66by10_34_0.9_dimer.xyz.com │ │ │ ├── S66by10_34_0.9_monomerA.xyz │ │ │ ├── S66by10_34_0.9_monomerB.xyz │ │ │ ├── S66by10_34_1.05_dimer.xyz │ │ │ ├── S66by10_34_1.05_dimer.xyz.com │ │ │ ├── S66by10_34_1.05_monomerA.xyz │ │ │ ├── S66by10_34_1.05_monomerB.xyz │ │ │ ├── S66by10_34_1.0_dimer.xyz │ │ │ ├── S66by10_34_1.0_dimer.xyz.com │ │ │ ├── S66by10_34_1.0_monomerA.xyz │ │ │ ├── S66by10_34_1.0_monomerB.xyz │ │ │ ├── S66by10_34_1.1_dimer.xyz │ │ │ ├── S66by10_34_1.1_dimer.xyz.com │ │ │ ├── S66by10_34_1.1_monomerA.xyz │ │ │ ├── S66by10_34_1.1_monomerB.xyz │ │ │ ├── S66by10_34_1.25_dimer.xyz │ │ │ ├── S66by10_34_1.25_dimer.xyz.com │ │ │ ├── S66by10_34_1.25_monomerA.xyz │ │ │ ├── S66by10_34_1.25_monomerB.xyz │ │ │ ├── S66by10_34_1.5_dimer.xyz │ │ │ ├── S66by10_34_1.5_dimer.xyz.com │ │ │ ├── S66by10_34_1.5_monomerA.xyz │ │ │ ├── S66by10_34_1.5_monomerB.xyz │ │ │ ├── S66by10_34_2.0_dimer.xyz │ │ │ ├── S66by10_34_2.0_dimer.xyz.com │ │ │ ├── S66by10_34_2.0_monomerA.xyz │ │ │ ├── S66by10_34_2.0_monomerA.xyz.com │ │ │ ├── S66by10_34_2.0_monomerB.xyz │ │ │ ├── S66by10_34_2.0_monomerB.xyz.com │ │ │ ├── S66by10_35_0.7_dimer.xyz │ │ │ ├── S66by10_35_0.7_dimer.xyz.com │ │ │ ├── S66by10_35_0.7_monomerA.xyz │ │ │ ├── S66by10_35_0.7_monomerB.xyz │ │ │ ├── S66by10_35_0.8_dimer.xyz │ │ │ ├── S66by10_35_0.8_dimer.xyz.com │ │ │ ├── S66by10_35_0.8_monomerA.xyz │ │ │ ├── S66by10_35_0.8_monomerB.xyz │ │ │ ├── S66by10_35_0.95_dimer.xyz │ │ │ ├── S66by10_35_0.95_dimer.xyz.com │ │ │ ├── S66by10_35_0.95_monomerA.xyz │ │ │ ├── S66by10_35_0.95_monomerB.xyz │ │ │ ├── S66by10_35_0.9_dimer.xyz │ │ │ ├── S66by10_35_0.9_dimer.xyz.com │ │ │ ├── S66by10_35_0.9_monomerA.xyz │ │ │ ├── S66by10_35_0.9_monomerB.xyz │ │ │ ├── S66by10_35_1.05_dimer.xyz │ │ │ ├── S66by10_35_1.05_dimer.xyz.com │ │ │ ├── S66by10_35_1.05_monomerA.xyz │ │ │ ├── S66by10_35_1.05_monomerB.xyz │ │ │ ├── S66by10_35_1.0_dimer.xyz │ │ │ ├── S66by10_35_1.0_dimer.xyz.com │ │ │ ├── S66by10_35_1.0_monomerA.xyz │ │ │ ├── S66by10_35_1.0_monomerB.xyz │ │ │ ├── S66by10_35_1.1_dimer.xyz │ │ │ ├── S66by10_35_1.1_dimer.xyz.com │ │ │ ├── S66by10_35_1.1_monomerA.xyz │ │ │ ├── S66by10_35_1.1_monomerB.xyz │ │ │ ├── S66by10_35_1.25_dimer.xyz │ │ │ ├── S66by10_35_1.25_dimer.xyz.com │ │ │ ├── S66by10_35_1.25_monomerA.xyz │ │ │ ├── S66by10_35_1.25_monomerB.xyz │ │ │ ├── S66by10_35_1.5_dimer.xyz │ │ │ ├── S66by10_35_1.5_dimer.xyz.com │ │ │ ├── S66by10_35_1.5_monomerA.xyz │ │ │ ├── S66by10_35_1.5_monomerB.xyz │ │ │ ├── S66by10_35_2.0_dimer.xyz │ │ │ ├── S66by10_35_2.0_dimer.xyz.com │ │ │ ├── S66by10_35_2.0_monomerA.xyz │ │ │ ├── S66by10_35_2.0_monomerA.xyz.com │ │ │ ├── S66by10_35_2.0_monomerB.xyz │ │ │ ├── S66by10_35_2.0_monomerB.xyz.com │ │ │ ├── S66by10_36_0.7_dimer.xyz │ │ │ ├── S66by10_36_0.7_dimer.xyz.com │ │ │ ├── S66by10_36_0.7_monomerA.xyz │ │ │ ├── S66by10_36_0.7_monomerB.xyz │ │ │ ├── S66by10_36_0.8_dimer.xyz │ │ │ ├── S66by10_36_0.8_dimer.xyz.com │ │ │ ├── S66by10_36_0.8_monomerA.xyz │ │ │ ├── S66by10_36_0.8_monomerB.xyz │ │ │ ├── S66by10_36_0.95_dimer.xyz │ │ │ ├── S66by10_36_0.95_dimer.xyz.com │ │ │ ├── S66by10_36_0.95_monomerA.xyz │ │ │ ├── S66by10_36_0.95_monomerB.xyz │ │ │ ├── S66by10_36_0.9_dimer.xyz │ │ │ ├── S66by10_36_0.9_dimer.xyz.com │ │ │ ├── S66by10_36_0.9_monomerA.xyz │ │ │ ├── S66by10_36_0.9_monomerB.xyz │ │ │ ├── S66by10_36_1.05_dimer.xyz │ │ │ ├── S66by10_36_1.05_dimer.xyz.com │ │ │ ├── S66by10_36_1.05_monomerA.xyz │ │ │ ├── S66by10_36_1.05_monomerB.xyz │ │ │ ├── S66by10_36_1.0_dimer.xyz │ │ │ ├── S66by10_36_1.0_dimer.xyz.com │ │ │ ├── S66by10_36_1.0_monomerA.xyz │ │ │ ├── S66by10_36_1.0_monomerB.xyz │ │ │ ├── S66by10_36_1.1_dimer.xyz │ │ │ ├── S66by10_36_1.1_dimer.xyz.com │ │ │ ├── S66by10_36_1.1_monomerA.xyz │ │ │ ├── S66by10_36_1.1_monomerB.xyz │ │ │ ├── S66by10_36_1.25_dimer.xyz │ │ │ ├── S66by10_36_1.25_dimer.xyz.com │ │ │ ├── S66by10_36_1.25_monomerA.xyz │ │ │ ├── S66by10_36_1.25_monomerB.xyz │ │ │ ├── S66by10_36_1.5_dimer.xyz │ │ │ ├── S66by10_36_1.5_dimer.xyz.com │ │ │ ├── S66by10_36_1.5_monomerA.xyz │ │ │ ├── S66by10_36_1.5_monomerB.xyz │ │ │ ├── S66by10_36_2.0_dimer.xyz │ │ │ ├── S66by10_36_2.0_dimer.xyz.com │ │ │ ├── S66by10_36_2.0_monomerA.xyz │ │ │ ├── S66by10_36_2.0_monomerA.xyz.com │ │ │ ├── S66by10_36_2.0_monomerB.xyz │ │ │ ├── S66by10_36_2.0_monomerB.xyz.com │ │ │ ├── S66by10_37_0.7_dimer.xyz │ │ │ ├── S66by10_37_0.7_dimer.xyz.com │ │ │ ├── S66by10_37_0.7_monomerA.xyz │ │ │ ├── S66by10_37_0.7_monomerB.xyz │ │ │ ├── S66by10_37_0.8_dimer.xyz │ │ │ ├── S66by10_37_0.8_dimer.xyz.com │ │ │ ├── S66by10_37_0.8_monomerA.xyz │ │ │ ├── S66by10_37_0.8_monomerB.xyz │ │ │ ├── S66by10_37_0.95_dimer.xyz │ │ │ ├── S66by10_37_0.95_dimer.xyz.com │ │ │ ├── S66by10_37_0.95_monomerA.xyz │ │ │ ├── S66by10_37_0.95_monomerB.xyz │ │ │ ├── S66by10_37_0.9_dimer.xyz │ │ │ ├── S66by10_37_0.9_dimer.xyz.com │ │ │ ├── S66by10_37_0.9_monomerA.xyz │ │ │ ├── S66by10_37_0.9_monomerB.xyz │ │ │ ├── S66by10_37_1.05_dimer.xyz │ │ │ ├── S66by10_37_1.05_dimer.xyz.com │ │ │ ├── S66by10_37_1.05_monomerA.xyz │ │ │ ├── S66by10_37_1.05_monomerB.xyz │ │ │ ├── S66by10_37_1.0_dimer.xyz │ │ │ ├── S66by10_37_1.0_dimer.xyz.com │ │ │ ├── S66by10_37_1.0_monomerA.xyz │ │ │ ├── S66by10_37_1.0_monomerB.xyz │ │ │ ├── S66by10_37_1.1_dimer.xyz │ │ │ ├── S66by10_37_1.1_dimer.xyz.com │ │ │ ├── S66by10_37_1.1_monomerA.xyz │ │ │ ├── S66by10_37_1.1_monomerB.xyz │ │ │ ├── S66by10_37_1.25_dimer.xyz │ │ │ ├── S66by10_37_1.25_dimer.xyz.com │ │ │ ├── S66by10_37_1.25_monomerA.xyz │ │ │ ├── S66by10_37_1.25_monomerB.xyz │ │ │ ├── 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S66by10_44_1.5_monomerB.xyz │ │ │ ├── S66by10_44_2.0_dimer.xyz │ │ │ ├── S66by10_44_2.0_dimer.xyz.com │ │ │ ├── S66by10_44_2.0_monomerA.xyz │ │ │ ├── S66by10_44_2.0_monomerA.xyz.com │ │ │ ├── S66by10_44_2.0_monomerB.xyz │ │ │ ├── S66by10_44_2.0_monomerB.xyz.com │ │ │ ├── S66by10_45_0.7_dimer.xyz │ │ │ ├── S66by10_45_0.7_dimer.xyz.com │ │ │ ├── S66by10_45_0.7_monomerA.xyz │ │ │ ├── S66by10_45_0.7_monomerB.xyz │ │ │ ├── S66by10_45_0.8_dimer.xyz │ │ │ ├── S66by10_45_0.8_dimer.xyz.com │ │ │ ├── S66by10_45_0.8_monomerA.xyz │ │ │ ├── S66by10_45_0.8_monomerB.xyz │ │ │ ├── S66by10_45_0.95_dimer.xyz │ │ │ ├── S66by10_45_0.95_dimer.xyz.com │ │ │ ├── S66by10_45_0.95_monomerA.xyz │ │ │ ├── S66by10_45_0.95_monomerB.xyz │ │ │ ├── S66by10_45_0.9_dimer.xyz │ │ │ ├── S66by10_45_0.9_dimer.xyz.com │ │ │ ├── S66by10_45_0.9_monomerA.xyz │ │ │ ├── S66by10_45_0.9_monomerB.xyz │ │ │ ├── S66by10_45_1.05_dimer.xyz │ │ │ ├── S66by10_45_1.05_dimer.xyz.com │ │ │ ├── S66by10_45_1.05_monomerA.xyz │ │ │ ├── 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S66by10_46_1.25_dimer.xyz.com │ │ │ ├── S66by10_46_1.25_monomerA.xyz │ │ │ ├── S66by10_46_1.25_monomerB.xyz │ │ │ ├── S66by10_46_1.5_dimer.xyz │ │ │ ├── S66by10_46_1.5_dimer.xyz.com │ │ │ ├── S66by10_46_1.5_monomerA.xyz │ │ │ ├── S66by10_46_1.5_monomerB.xyz │ │ │ ├── S66by10_46_2.0_dimer.xyz │ │ │ ├── S66by10_46_2.0_dimer.xyz.com │ │ │ ├── S66by10_46_2.0_monomerA.xyz │ │ │ ├── S66by10_46_2.0_monomerA.xyz.com │ │ │ ├── S66by10_46_2.0_monomerB.xyz │ │ │ ├── S66by10_46_2.0_monomerB.xyz.com │ │ │ ├── S66by10_47_0.7_dimer.xyz │ │ │ ├── S66by10_47_0.7_dimer.xyz.com │ │ │ ├── S66by10_47_0.7_monomerA.xyz │ │ │ ├── S66by10_47_0.7_monomerB.xyz │ │ │ ├── S66by10_47_0.8_dimer.xyz │ │ │ ├── S66by10_47_0.8_dimer.xyz.com │ │ │ ├── S66by10_47_0.8_monomerA.xyz │ │ │ ├── S66by10_47_0.8_monomerB.xyz │ │ │ ├── S66by10_47_0.95_dimer.xyz │ │ │ ├── S66by10_47_0.95_dimer.xyz.com │ │ │ ├── S66by10_47_0.95_monomerA.xyz │ │ │ ├── S66by10_47_0.95_monomerB.xyz │ │ │ ├── S66by10_47_0.9_dimer.xyz │ │ │ ├── S66by10_47_0.9_dimer.xyz.com │ │ │ ├── S66by10_47_0.9_monomerA.xyz │ │ │ ├── S66by10_47_0.9_monomerB.xyz │ │ │ ├── S66by10_47_1.05_dimer.xyz │ │ │ ├── S66by10_47_1.05_dimer.xyz.com │ │ │ ├── S66by10_47_1.05_monomerA.xyz │ │ │ ├── S66by10_47_1.05_monomerB.xyz │ │ │ ├── S66by10_47_1.0_dimer.xyz │ │ │ ├── S66by10_47_1.0_dimer.xyz.com │ │ │ ├── S66by10_47_1.0_monomerA.xyz │ │ │ ├── S66by10_47_1.0_monomerB.xyz │ │ │ ├── S66by10_47_1.1_dimer.xyz │ │ │ ├── S66by10_47_1.1_dimer.xyz.com │ │ │ ├── S66by10_47_1.1_monomerA.xyz │ │ │ ├── S66by10_47_1.1_monomerB.xyz │ │ │ ├── S66by10_47_1.25_dimer.xyz │ │ │ ├── S66by10_47_1.25_dimer.xyz.com │ │ │ ├── S66by10_47_1.25_monomerA.xyz │ │ │ ├── S66by10_47_1.25_monomerB.xyz │ │ │ ├── S66by10_47_1.5_dimer.xyz │ │ │ ├── S66by10_47_1.5_dimer.xyz.com │ │ │ ├── S66by10_47_1.5_monomerA.xyz │ │ │ ├── S66by10_47_1.5_monomerB.xyz │ │ │ ├── S66by10_47_2.0_dimer.xyz │ │ │ ├── S66by10_47_2.0_dimer.xyz.com │ │ │ ├── S66by10_47_2.0_monomerA.xyz │ │ │ ├── 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S66by10_49_0.8_monomerB.xyz │ │ │ ├── S66by10_49_0.95_dimer.xyz │ │ │ ├── S66by10_49_0.95_dimer.xyz.com │ │ │ ├── S66by10_49_0.95_monomerA.xyz │ │ │ ├── S66by10_49_0.95_monomerB.xyz │ │ │ ├── S66by10_49_0.9_dimer.xyz │ │ │ ├── S66by10_49_0.9_dimer.xyz.com │ │ │ ├── S66by10_49_0.9_monomerA.xyz │ │ │ ├── S66by10_49_0.9_monomerB.xyz │ │ │ ├── S66by10_49_1.05_dimer.xyz │ │ │ ├── S66by10_49_1.05_dimer.xyz.com │ │ │ ├── S66by10_49_1.05_monomerA.xyz │ │ │ ├── S66by10_49_1.05_monomerB.xyz │ │ │ ├── S66by10_49_1.0_dimer.xyz │ │ │ ├── S66by10_49_1.0_dimer.xyz.com │ │ │ ├── S66by10_49_1.0_monomerA.xyz │ │ │ ├── S66by10_49_1.0_monomerB.xyz │ │ │ ├── S66by10_49_1.1_dimer.xyz │ │ │ ├── S66by10_49_1.1_dimer.xyz.com │ │ │ ├── S66by10_49_1.1_monomerA.xyz │ │ │ ├── S66by10_49_1.1_monomerB.xyz │ │ │ ├── S66by10_49_1.25_dimer.xyz │ │ │ ├── S66by10_49_1.25_dimer.xyz.com │ │ │ ├── S66by10_49_1.25_monomerA.xyz │ │ │ ├── S66by10_49_1.25_monomerB.xyz │ │ │ ├── S66by10_49_1.5_dimer.xyz │ │ │ ├── S66by10_49_1.5_dimer.xyz.com │ │ │ ├── S66by10_49_1.5_monomerA.xyz │ │ │ ├── S66by10_49_1.5_monomerB.xyz │ │ │ ├── S66by10_49_2.0_dimer.xyz │ │ │ ├── S66by10_49_2.0_dimer.xyz.com │ │ │ ├── S66by10_49_2.0_monomerA.xyz │ │ │ ├── S66by10_49_2.0_monomerA.xyz.com │ │ │ ├── S66by10_49_2.0_monomerB.xyz │ │ │ ├── S66by10_49_2.0_monomerB.xyz.com │ │ │ ├── S66by10_4_0.7_dimer.xyz │ │ │ ├── S66by10_4_0.7_dimer.xyz.com │ │ │ ├── S66by10_4_0.7_monomerA.xyz │ │ │ ├── S66by10_4_0.7_monomerB.xyz │ │ │ ├── S66by10_4_0.8_dimer.xyz │ │ │ ├── S66by10_4_0.8_dimer.xyz.com │ │ │ ├── S66by10_4_0.8_monomerA.xyz │ │ │ ├── S66by10_4_0.8_monomerB.xyz │ │ │ ├── S66by10_4_0.95_dimer.xyz │ │ │ ├── S66by10_4_0.95_dimer.xyz.com │ │ │ ├── S66by10_4_0.95_monomerA.xyz │ │ │ ├── S66by10_4_0.95_monomerB.xyz │ │ │ ├── S66by10_4_0.9_dimer.xyz │ │ │ ├── S66by10_4_0.9_dimer.xyz.com │ │ │ ├── S66by10_4_0.9_monomerA.xyz │ │ │ ├── S66by10_4_0.9_monomerB.xyz │ │ │ ├── S66by10_4_1.05_dimer.xyz │ │ │ ├── S66by10_4_1.05_dimer.xyz.com │ │ │ ├── S66by10_4_1.05_monomerA.xyz │ │ │ ├── S66by10_4_1.05_monomerB.xyz │ │ │ ├── S66by10_4_1.0_dimer.xyz │ │ │ ├── S66by10_4_1.0_dimer.xyz.com │ │ │ ├── S66by10_4_1.0_monomerA.xyz │ │ │ ├── S66by10_4_1.0_monomerB.xyz │ │ │ ├── S66by10_4_1.1_dimer.xyz │ │ │ ├── S66by10_4_1.1_dimer.xyz.com │ │ │ ├── S66by10_4_1.1_monomerA.xyz │ │ │ ├── S66by10_4_1.1_monomerB.xyz │ │ │ ├── S66by10_4_1.25_dimer.xyz │ │ │ ├── S66by10_4_1.25_dimer.xyz.com │ │ │ ├── S66by10_4_1.25_monomerA.xyz │ │ │ ├── S66by10_4_1.25_monomerB.xyz │ │ │ ├── S66by10_4_1.5_dimer.xyz │ │ │ ├── S66by10_4_1.5_dimer.xyz.com │ │ │ ├── S66by10_4_1.5_monomerA.xyz │ │ │ ├── S66by10_4_1.5_monomerB.xyz │ │ │ ├── S66by10_4_2.0_dimer.xyz │ │ │ ├── S66by10_4_2.0_dimer.xyz.com │ │ │ ├── S66by10_4_2.0_monomerA.xyz │ │ │ ├── S66by10_4_2.0_monomerA.xyz.com │ │ │ ├── S66by10_4_2.0_monomerB.xyz │ │ │ ├── S66by10_4_2.0_monomerB.xyz.com │ │ │ ├── S66by10_50_0.7_dimer.xyz │ │ │ ├── S66by10_50_0.7_dimer.xyz.com │ │ │ ├── S66by10_50_0.7_monomerA.xyz │ │ │ ├── S66by10_50_0.7_monomerB.xyz │ │ │ ├── S66by10_50_0.8_dimer.xyz │ │ │ ├── S66by10_50_0.8_dimer.xyz.com │ │ │ ├── S66by10_50_0.8_monomerA.xyz │ │ │ ├── S66by10_50_0.8_monomerB.xyz │ │ │ ├── S66by10_50_0.95_dimer.xyz │ │ │ ├── S66by10_50_0.95_dimer.xyz.com │ │ │ ├── S66by10_50_0.95_monomerA.xyz │ │ │ ├── S66by10_50_0.95_monomerB.xyz │ │ │ ├── S66by10_50_0.9_dimer.xyz │ │ │ ├── S66by10_50_0.9_dimer.xyz.com │ │ │ ├── S66by10_50_0.9_monomerA.xyz │ │ │ ├── S66by10_50_0.9_monomerB.xyz │ │ │ ├── S66by10_50_1.05_dimer.xyz │ │ │ ├── S66by10_50_1.05_dimer.xyz.com │ │ │ ├── S66by10_50_1.05_monomerA.xyz │ │ │ ├── S66by10_50_1.05_monomerB.xyz │ │ │ ├── S66by10_50_1.0_dimer.xyz │ │ │ ├── S66by10_50_1.0_dimer.xyz.com │ │ │ ├── S66by10_50_1.0_monomerA.xyz │ │ │ ├── S66by10_50_1.0_monomerB.xyz │ │ │ ├── S66by10_50_1.1_dimer.xyz │ │ │ ├── S66by10_50_1.1_dimer.xyz.com │ │ │ ├── S66by10_50_1.1_monomerA.xyz │ │ │ ├── S66by10_50_1.1_monomerB.xyz │ │ │ ├── S66by10_50_1.25_dimer.xyz │ │ │ ├── S66by10_50_1.25_dimer.xyz.com │ │ │ ├── S66by10_50_1.25_monomerA.xyz │ │ │ ├── S66by10_50_1.25_monomerB.xyz │ │ │ ├── S66by10_50_1.5_dimer.xyz │ │ │ ├── S66by10_50_1.5_dimer.xyz.com │ │ │ ├── S66by10_50_1.5_monomerA.xyz │ │ │ ├── S66by10_50_1.5_monomerB.xyz │ │ │ ├── S66by10_50_2.0_dimer.xyz │ │ │ ├── S66by10_50_2.0_dimer.xyz.com │ │ │ ├── S66by10_50_2.0_monomerA.xyz │ │ │ ├── S66by10_50_2.0_monomerA.xyz.com │ │ │ ├── S66by10_50_2.0_monomerB.xyz │ │ │ ├── S66by10_50_2.0_monomerB.xyz.com │ │ │ ├── S66by10_51_0.7_dimer.xyz │ │ │ ├── S66by10_51_0.7_dimer.xyz.com │ │ │ ├── S66by10_51_0.7_monomerA.xyz │ │ │ ├── S66by10_51_0.7_monomerB.xyz │ │ │ ├── S66by10_51_0.8_dimer.xyz │ │ │ ├── S66by10_51_0.8_dimer.xyz.com │ │ │ ├── S66by10_51_0.8_monomerA.xyz │ │ │ ├── S66by10_51_0.8_monomerB.xyz │ │ │ ├── S66by10_51_0.95_dimer.xyz │ │ │ ├── S66by10_51_0.95_dimer.xyz.com │ │ │ ├── S66by10_51_0.95_monomerA.xyz │ │ │ ├── S66by10_51_0.95_monomerB.xyz │ │ │ ├── S66by10_51_0.9_dimer.xyz │ │ │ ├── S66by10_51_0.9_dimer.xyz.com │ │ │ ├── S66by10_51_0.9_monomerA.xyz │ │ │ ├── S66by10_51_0.9_monomerB.xyz │ │ │ ├── S66by10_51_1.05_dimer.xyz │ │ │ ├── S66by10_51_1.05_dimer.xyz.com │ │ │ ├── S66by10_51_1.05_monomerA.xyz │ │ │ ├── S66by10_51_1.05_monomerB.xyz │ │ │ ├── S66by10_51_1.0_dimer.xyz │ │ │ ├── S66by10_51_1.0_dimer.xyz.com │ │ │ ├── S66by10_51_1.0_monomerA.xyz │ │ │ ├── S66by10_51_1.0_monomerB.xyz │ │ │ ├── S66by10_51_1.1_dimer.xyz │ │ │ ├── S66by10_51_1.1_dimer.xyz.com │ │ │ ├── S66by10_51_1.1_monomerA.xyz │ │ │ ├── S66by10_51_1.1_monomerB.xyz │ │ │ ├── S66by10_51_1.25_dimer.xyz │ │ │ ├── S66by10_51_1.25_dimer.xyz.com │ │ │ ├── S66by10_51_1.25_monomerA.xyz │ │ │ ├── S66by10_51_1.25_monomerB.xyz │ │ │ ├── S66by10_51_1.5_dimer.xyz │ │ │ ├── S66by10_51_1.5_dimer.xyz.com │ │ │ ├── S66by10_51_1.5_monomerA.xyz │ │ │ ├── S66by10_51_1.5_monomerB.xyz │ │ │ ├── S66by10_51_2.0_dimer.xyz │ │ │ ├── S66by10_51_2.0_dimer.xyz.com │ │ │ ├── S66by10_51_2.0_monomerA.xyz │ │ │ ├── S66by10_51_2.0_monomerA.xyz.com │ │ │ ├── S66by10_51_2.0_monomerB.xyz │ │ │ ├── S66by10_51_2.0_monomerB.xyz.com │ │ │ ├── S66by10_52_0.7_dimer.xyz │ │ │ ├── S66by10_52_0.7_dimer.xyz.com │ │ │ ├── S66by10_52_0.7_monomerA.xyz │ │ │ ├── S66by10_52_0.7_monomerB.xyz │ │ │ ├── S66by10_52_0.8_dimer.xyz │ │ │ ├── S66by10_52_0.8_dimer.xyz.com │ │ │ ├── S66by10_52_0.8_monomerA.xyz │ │ │ ├── S66by10_52_0.8_monomerB.xyz │ │ │ ├── S66by10_52_0.95_dimer.xyz │ │ │ ├── S66by10_52_0.95_dimer.xyz.com │ │ │ ├── S66by10_52_0.95_monomerA.xyz │ │ │ ├── S66by10_52_0.95_monomerB.xyz │ │ │ ├── S66by10_52_0.9_dimer.xyz │ │ │ ├── S66by10_52_0.9_dimer.xyz.com │ │ │ ├── S66by10_52_0.9_monomerA.xyz │ │ │ ├── S66by10_52_0.9_monomerB.xyz │ │ │ ├── S66by10_52_1.05_dimer.xyz │ │ │ ├── S66by10_52_1.05_dimer.xyz.com │ │ │ ├── S66by10_52_1.05_monomerA.xyz │ │ │ ├── S66by10_52_1.05_monomerB.xyz │ │ │ ├── S66by10_52_1.0_dimer.xyz │ │ │ ├── S66by10_52_1.0_dimer.xyz.com │ │ │ ├── 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S66by10_53_1.5_dimer.xyz │ │ │ ├── S66by10_53_1.5_dimer.xyz.com │ │ │ ├── S66by10_53_1.5_monomerA.xyz │ │ │ ├── S66by10_53_1.5_monomerB.xyz │ │ │ ├── S66by10_53_2.0_dimer.xyz │ │ │ ├── S66by10_53_2.0_dimer.xyz.com │ │ │ ├── S66by10_53_2.0_monomerA.xyz │ │ │ ├── S66by10_53_2.0_monomerA.xyz.com │ │ │ ├── S66by10_53_2.0_monomerB.xyz │ │ │ ├── S66by10_53_2.0_monomerB.xyz.com │ │ │ ├── S66by10_54_0.7_dimer.xyz │ │ │ ├── S66by10_54_0.7_dimer.xyz.com │ │ │ ├── S66by10_54_0.7_monomerA.xyz │ │ │ ├── S66by10_54_0.7_monomerB.xyz │ │ │ ├── S66by10_54_0.8_dimer.xyz │ │ │ ├── S66by10_54_0.8_dimer.xyz.com │ │ │ ├── S66by10_54_0.8_monomerA.xyz │ │ │ ├── S66by10_54_0.8_monomerB.xyz │ │ │ ├── S66by10_54_0.95_dimer.xyz │ │ │ ├── S66by10_54_0.95_dimer.xyz.com │ │ │ ├── S66by10_54_0.95_monomerA.xyz │ │ │ ├── S66by10_54_0.95_monomerB.xyz │ │ │ ├── S66by10_54_0.9_dimer.xyz │ │ │ ├── S66by10_54_0.9_dimer.xyz.com │ │ │ ├── S66by10_54_0.9_monomerA.xyz │ │ │ ├── S66by10_54_0.9_monomerB.xyz │ │ │ ├── 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S66by10_55_1.1_monomerA.xyz │ │ │ ├── S66by10_55_1.1_monomerB.xyz │ │ │ ├── S66by10_55_1.25_dimer.xyz │ │ │ ├── S66by10_55_1.25_dimer.xyz.com │ │ │ ├── S66by10_55_1.25_monomerA.xyz │ │ │ ├── S66by10_55_1.25_monomerB.xyz │ │ │ ├── S66by10_55_1.5_dimer.xyz │ │ │ ├── S66by10_55_1.5_dimer.xyz.com │ │ │ ├── S66by10_55_1.5_monomerA.xyz │ │ │ ├── S66by10_55_1.5_monomerB.xyz │ │ │ ├── S66by10_55_2.0_dimer.xyz │ │ │ ├── S66by10_55_2.0_dimer.xyz.com │ │ │ ├── S66by10_55_2.0_monomerA.xyz │ │ │ ├── S66by10_55_2.0_monomerA.xyz.com │ │ │ ├── S66by10_55_2.0_monomerB.xyz │ │ │ ├── S66by10_55_2.0_monomerB.xyz.com │ │ │ ├── S66by10_56_0.7_dimer.xyz │ │ │ ├── S66by10_56_0.7_dimer.xyz.com │ │ │ ├── S66by10_56_0.7_monomerA.xyz │ │ │ ├── S66by10_56_0.7_monomerB.xyz │ │ │ ├── S66by10_56_0.8_dimer.xyz │ │ │ ├── S66by10_56_0.8_dimer.xyz.com │ │ │ ├── S66by10_56_0.8_monomerA.xyz │ │ │ ├── S66by10_56_0.8_monomerB.xyz │ │ │ ├── S66by10_56_0.95_dimer.xyz │ │ │ ├── S66by10_56_0.95_dimer.xyz.com │ │ │ ├── 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S66by10_63_2.0_monomerA.xyz.com │ │ │ ├── S66by10_63_2.0_monomerB.xyz │ │ │ ├── S66by10_63_2.0_monomerB.xyz.com │ │ │ ├── S66by10_64_0.7_dimer.xyz │ │ │ ├── S66by10_64_0.7_dimer.xyz.com │ │ │ ├── S66by10_64_0.7_monomerA.xyz │ │ │ ├── S66by10_64_0.7_monomerB.xyz │ │ │ ├── S66by10_64_0.8_dimer.xyz │ │ │ ├── S66by10_64_0.8_dimer.xyz.com │ │ │ ├── S66by10_64_0.8_monomerA.xyz │ │ │ ├── S66by10_64_0.8_monomerB.xyz │ │ │ ├── S66by10_64_0.95_dimer.xyz │ │ │ ├── S66by10_64_0.95_dimer.xyz.com │ │ │ ├── S66by10_64_0.95_monomerA.xyz │ │ │ ├── S66by10_64_0.95_monomerB.xyz │ │ │ ├── S66by10_64_0.9_dimer.xyz │ │ │ ├── S66by10_64_0.9_dimer.xyz.com │ │ │ ├── S66by10_64_0.9_monomerA.xyz │ │ │ ├── S66by10_64_0.9_monomerB.xyz │ │ │ ├── S66by10_64_1.05_dimer.xyz │ │ │ ├── S66by10_64_1.05_dimer.xyz.com │ │ │ ├── S66by10_64_1.05_monomerA.xyz │ │ │ ├── S66by10_64_1.05_monomerB.xyz │ │ │ ├── S66by10_64_1.0_dimer.xyz │ │ │ ├── S66by10_64_1.0_dimer.xyz.com │ │ │ ├── S66by10_64_1.0_monomerA.xyz │ │ │ ├── S66by10_64_1.0_monomerB.xyz │ │ │ ├── S66by10_64_1.1_dimer.xyz │ │ │ ├── S66by10_64_1.1_dimer.xyz.com │ │ │ ├── S66by10_64_1.1_monomerA.xyz │ │ │ ├── S66by10_64_1.1_monomerB.xyz │ │ │ ├── S66by10_64_1.25_dimer.xyz │ │ │ ├── S66by10_64_1.25_dimer.xyz.com │ │ │ ├── S66by10_64_1.25_monomerA.xyz │ │ │ ├── S66by10_64_1.25_monomerB.xyz │ │ │ ├── S66by10_64_1.5_dimer.xyz │ │ │ ├── S66by10_64_1.5_dimer.xyz.com │ │ │ ├── S66by10_64_1.5_monomerA.xyz │ │ │ ├── S66by10_64_1.5_monomerB.xyz │ │ │ ├── S66by10_64_2.0_dimer.xyz │ │ │ ├── S66by10_64_2.0_dimer.xyz.com │ │ │ ├── S66by10_64_2.0_monomerA.xyz │ │ │ ├── S66by10_64_2.0_monomerA.xyz.com │ │ │ ├── S66by10_64_2.0_monomerB.xyz │ │ │ ├── S66by10_64_2.0_monomerB.xyz.com │ │ │ ├── S66by10_65_0.7_dimer.xyz │ │ │ ├── S66by10_65_0.7_dimer.xyz.com │ │ │ ├── S66by10_65_0.7_monomerA.xyz │ │ │ ├── S66by10_65_0.7_monomerB.xyz │ │ │ ├── S66by10_65_0.8_dimer.xyz │ │ │ ├── S66by10_65_0.8_dimer.xyz.com │ │ │ ├── S66by10_65_0.8_monomerA.xyz │ │ │ ├── S66by10_65_0.8_monomerB.xyz │ │ │ ├── S66by10_65_0.95_dimer.xyz │ │ │ ├── S66by10_65_0.95_dimer.xyz.com │ │ │ ├── S66by10_65_0.95_monomerA.xyz │ │ │ ├── S66by10_65_0.95_monomerB.xyz │ │ │ ├── S66by10_65_0.9_dimer.xyz │ │ │ ├── S66by10_65_0.9_dimer.xyz.com │ │ │ ├── S66by10_65_0.9_monomerA.xyz │ │ │ ├── S66by10_65_0.9_monomerB.xyz │ │ │ ├── S66by10_65_1.05_dimer.xyz │ │ │ ├── S66by10_65_1.05_dimer.xyz.com │ │ │ ├── S66by10_65_1.05_monomerA.xyz │ │ │ ├── S66by10_65_1.05_monomerB.xyz │ │ │ ├── S66by10_65_1.0_dimer.xyz │ │ │ ├── S66by10_65_1.0_dimer.xyz.com │ │ │ ├── S66by10_65_1.0_monomerA.xyz │ │ │ ├── S66by10_65_1.0_monomerB.xyz │ │ │ ├── S66by10_65_1.1_dimer.xyz │ │ │ ├── S66by10_65_1.1_dimer.xyz.com │ │ │ ├── S66by10_65_1.1_monomerA.xyz │ │ │ ├── S66by10_65_1.1_monomerB.xyz │ │ │ ├── S66by10_65_1.25_dimer.xyz │ │ │ ├── S66by10_65_1.25_dimer.xyz.com │ │ │ ├── S66by10_65_1.25_monomerA.xyz │ │ │ ├── S66by10_65_1.25_monomerB.xyz │ │ │ ├── S66by10_65_1.5_dimer.xyz │ │ │ ├── S66by10_65_1.5_dimer.xyz.com │ │ │ ├── S66by10_65_1.5_monomerA.xyz │ │ │ ├── S66by10_65_1.5_monomerB.xyz │ │ │ ├── S66by10_65_2.0_dimer.xyz │ │ │ ├── S66by10_65_2.0_dimer.xyz.com │ │ │ ├── S66by10_65_2.0_monomerA.xyz │ │ │ ├── S66by10_65_2.0_monomerA.xyz.com │ │ │ ├── S66by10_65_2.0_monomerB.xyz │ │ │ ├── S66by10_65_2.0_monomerB.xyz.com │ │ │ ├── S66by10_66_0.7_dimer.xyz │ │ │ ├── S66by10_66_0.7_dimer.xyz.com │ │ │ ├── S66by10_66_0.7_monomerA.xyz │ │ │ ├── S66by10_66_0.7_monomerB.xyz │ │ │ ├── S66by10_66_0.8_dimer.xyz │ │ │ ├── S66by10_66_0.8_dimer.xyz.com │ │ │ ├── S66by10_66_0.8_monomerA.xyz │ │ │ ├── S66by10_66_0.8_monomerB.xyz │ │ │ ├── S66by10_66_0.95_dimer.xyz │ │ │ ├── S66by10_66_0.95_dimer.xyz.com │ │ │ ├── S66by10_66_0.95_monomerA.xyz │ │ │ ├── S66by10_66_0.95_monomerB.xyz │ │ │ ├── S66by10_66_0.9_dimer.xyz │ │ │ ├── S66by10_66_0.9_dimer.xyz.com │ │ │ ├── S66by10_66_0.9_monomerA.xyz │ │ │ ├── S66by10_66_0.9_monomerB.xyz │ │ │ ├── S66by10_66_1.05_dimer.xyz │ │ │ ├── S66by10_66_1.05_dimer.xyz.com │ │ │ ├── S66by10_66_1.05_monomerA.xyz │ │ │ ├── S66by10_66_1.05_monomerB.xyz │ │ │ ├── S66by10_66_1.0_dimer.xyz │ │ │ ├── S66by10_66_1.0_dimer.xyz.com │ │ │ ├── S66by10_66_1.0_monomerA.xyz │ │ │ ├── S66by10_66_1.0_monomerB.xyz │ │ │ ├── S66by10_66_1.1_dimer.xyz │ │ │ ├── S66by10_66_1.1_dimer.xyz.com │ │ │ ├── S66by10_66_1.1_monomerA.xyz │ │ │ ├── S66by10_66_1.1_monomerB.xyz │ │ │ ├── S66by10_66_1.25_dimer.xyz │ │ │ ├── S66by10_66_1.25_dimer.xyz.com │ │ │ ├── S66by10_66_1.25_monomerA.xyz │ │ │ ├── S66by10_66_1.25_monomerB.xyz │ │ │ ├── S66by10_66_1.5_dimer.xyz │ │ │ ├── S66by10_66_1.5_dimer.xyz.com │ │ │ ├── S66by10_66_1.5_monomerA.xyz │ │ │ ├── S66by10_66_1.5_monomerB.xyz │ │ │ ├── S66by10_66_2.0_dimer.xyz │ │ │ ├── S66by10_66_2.0_dimer.xyz.com │ │ │ ├── S66by10_66_2.0_monomerA.xyz │ │ │ ├── S66by10_66_2.0_monomerA.xyz.com │ │ │ ├── S66by10_66_2.0_monomerB.xyz │ │ │ ├── S66by10_66_2.0_monomerB.xyz.com │ │ │ ├── S66by10_6_0.7_dimer.xyz │ │ │ ├── S66by10_6_0.7_dimer.xyz.com │ │ │ ├── S66by10_6_0.7_monomerA.xyz │ │ │ ├── S66by10_6_0.7_monomerB.xyz │ │ │ ├── S66by10_6_0.8_dimer.xyz │ │ │ ├── S66by10_6_0.8_dimer.xyz.com │ │ │ ├── S66by10_6_0.8_monomerA.xyz │ │ │ ├── S66by10_6_0.8_monomerB.xyz │ │ │ ├── S66by10_6_0.95_dimer.xyz │ │ │ ├── S66by10_6_0.95_dimer.xyz.com │ │ │ ├── S66by10_6_0.95_monomerA.xyz │ │ │ ├── S66by10_6_0.95_monomerB.xyz │ │ │ ├── S66by10_6_0.9_dimer.xyz │ │ │ ├── S66by10_6_0.9_dimer.xyz.com │ │ │ ├── S66by10_6_0.9_monomerA.xyz │ │ │ ├── S66by10_6_0.9_monomerB.xyz │ │ │ ├── S66by10_6_1.05_dimer.xyz │ │ │ ├── S66by10_6_1.05_dimer.xyz.com │ │ │ ├── S66by10_6_1.05_monomerA.xyz │ │ │ ├── S66by10_6_1.05_monomerB.xyz │ │ │ ├── S66by10_6_1.0_dimer.xyz │ │ │ ├── S66by10_6_1.0_dimer.xyz.com │ │ │ ├── S66by10_6_1.0_monomerA.xyz │ │ │ ├── S66by10_6_1.0_monomerB.xyz │ │ │ ├── S66by10_6_1.1_dimer.xyz │ │ │ ├── S66by10_6_1.1_dimer.xyz.com │ │ │ ├── S66by10_6_1.1_monomerA.xyz │ │ │ ├── S66by10_6_1.1_monomerB.xyz │ │ │ ├── S66by10_6_1.25_dimer.xyz │ │ │ ├── S66by10_6_1.25_dimer.xyz.com │ │ │ ├── S66by10_6_1.25_monomerA.xyz │ │ │ ├── S66by10_6_1.25_monomerB.xyz │ │ │ ├── S66by10_6_1.5_dimer.xyz │ │ │ ├── S66by10_6_1.5_dimer.xyz.com │ │ │ ├── S66by10_6_1.5_monomerA.xyz │ │ │ ├── S66by10_6_1.5_monomerB.xyz │ │ │ ├── S66by10_6_2.0_dimer.xyz │ │ │ ├── S66by10_6_2.0_dimer.xyz.com │ │ │ ├── S66by10_6_2.0_monomerA.xyz │ │ │ ├── S66by10_6_2.0_monomerA.xyz.com │ │ │ ├── S66by10_6_2.0_monomerB.xyz │ │ │ ├── S66by10_6_2.0_monomerB.xyz.com │ │ │ ├── S66by10_7_0.7_dimer.xyz │ │ │ ├── S66by10_7_0.7_dimer.xyz.com │ │ │ ├── S66by10_7_0.7_monomerA.xyz │ │ │ ├── S66by10_7_0.7_monomerB.xyz │ │ │ ├── S66by10_7_0.8_dimer.xyz │ │ │ ├── S66by10_7_0.8_dimer.xyz.com │ │ │ ├── S66by10_7_0.8_monomerA.xyz │ │ │ ├── S66by10_7_0.8_monomerB.xyz │ │ │ ├── S66by10_7_0.95_dimer.xyz │ │ │ ├── S66by10_7_0.95_dimer.xyz.com │ │ │ ├── S66by10_7_0.95_monomerA.xyz │ │ │ ├── S66by10_7_0.95_monomerB.xyz │ │ │ ├── S66by10_7_0.9_dimer.xyz │ │ │ ├── S66by10_7_0.9_dimer.xyz.com │ │ │ ├── S66by10_7_0.9_monomerA.xyz │ │ │ ├── S66by10_7_0.9_monomerB.xyz │ │ │ ├── S66by10_7_1.05_dimer.xyz │ │ │ ├── S66by10_7_1.05_dimer.xyz.com │ │ │ ├── S66by10_7_1.05_monomerA.xyz │ │ │ ├── S66by10_7_1.05_monomerB.xyz │ │ │ ├── S66by10_7_1.0_dimer.xyz │ │ │ ├── S66by10_7_1.0_dimer.xyz.com │ │ │ ├── S66by10_7_1.0_monomerA.xyz │ │ │ ├── S66by10_7_1.0_monomerB.xyz │ │ │ ├── S66by10_7_1.1_dimer.xyz │ │ │ ├── S66by10_7_1.1_dimer.xyz.com │ │ │ ├── S66by10_7_1.1_monomerA.xyz │ │ │ ├── S66by10_7_1.1_monomerB.xyz │ │ │ ├── S66by10_7_1.25_dimer.xyz │ │ │ ├── S66by10_7_1.25_dimer.xyz.com │ │ │ ├── S66by10_7_1.25_monomerA.xyz │ │ │ ├── S66by10_7_1.25_monomerB.xyz │ │ │ ├── S66by10_7_1.5_dimer.xyz │ │ │ ├── S66by10_7_1.5_dimer.xyz.com │ │ │ ├── S66by10_7_1.5_monomerA.xyz │ │ │ ├── S66by10_7_1.5_monomerB.xyz │ │ │ ├── S66by10_7_2.0_dimer.xyz │ │ │ ├── S66by10_7_2.0_dimer.xyz.com │ │ │ ├── S66by10_7_2.0_monomerA.xyz │ │ │ ├── S66by10_7_2.0_monomerA.xyz.com │ │ │ ├── S66by10_7_2.0_monomerB.xyz │ │ │ ├── S66by10_7_2.0_monomerB.xyz.com │ │ │ ├── S66by10_8_0.7_dimer.xyz │ │ │ ├── S66by10_8_0.7_dimer.xyz.com │ │ │ ├── S66by10_8_0.7_monomerA.xyz │ │ │ ├── S66by10_8_0.7_monomerB.xyz │ │ │ ├── S66by10_8_0.8_dimer.xyz │ │ │ ├── S66by10_8_0.8_dimer.xyz.com │ │ │ ├── S66by10_8_0.8_monomerA.xyz │ │ │ ├── S66by10_8_0.8_monomerB.xyz │ │ │ ├── S66by10_8_0.95_dimer.xyz │ │ │ ├── S66by10_8_0.95_dimer.xyz.com │ │ │ ├── S66by10_8_0.95_monomerA.xyz │ │ │ ├── S66by10_8_0.95_monomerB.xyz │ │ │ ├── S66by10_8_0.9_dimer.xyz │ │ │ ├── S66by10_8_0.9_dimer.xyz.com │ │ │ ├── S66by10_8_0.9_monomerA.xyz │ │ │ ├── S66by10_8_0.9_monomerB.xyz │ │ │ ├── S66by10_8_1.05_dimer.xyz │ │ │ ├── S66by10_8_1.05_dimer.xyz.com │ │ │ ├── S66by10_8_1.05_monomerA.xyz │ │ │ ├── S66by10_8_1.05_monomerB.xyz │ │ │ ├── S66by10_8_1.0_dimer.xyz │ │ │ ├── S66by10_8_1.0_dimer.xyz.com │ │ │ ├── S66by10_8_1.0_monomerA.xyz │ │ │ ├── S66by10_8_1.0_monomerB.xyz │ │ │ ├── S66by10_8_1.1_dimer.xyz │ │ │ ├── S66by10_8_1.1_dimer.xyz.com │ │ │ ├── S66by10_8_1.1_monomerA.xyz │ │ │ ├── S66by10_8_1.1_monomerB.xyz │ │ │ ├── S66by10_8_1.25_dimer.xyz │ │ │ ├── S66by10_8_1.25_dimer.xyz.com │ │ │ ├── S66by10_8_1.25_monomerA.xyz │ │ │ ├── S66by10_8_1.25_monomerB.xyz │ │ │ ├── S66by10_8_1.5_dimer.xyz │ │ │ ├── S66by10_8_1.5_dimer.xyz.com │ │ │ ├── S66by10_8_1.5_monomerA.xyz │ │ │ ├── S66by10_8_1.5_monomerB.xyz │ │ │ ├── S66by10_8_2.0_dimer.xyz │ │ │ ├── S66by10_8_2.0_dimer.xyz.com │ │ │ ├── S66by10_8_2.0_monomerA.xyz │ │ │ ├── S66by10_8_2.0_monomerA.xyz.com │ │ │ ├── S66by10_8_2.0_monomerB.xyz │ │ │ ├── S66by10_8_2.0_monomerB.xyz.com │ │ │ ├── S66by10_9_0.7_dimer.xyz │ │ │ ├── S66by10_9_0.7_dimer.xyz.com │ │ │ ├── S66by10_9_0.7_monomerA.xyz │ │ │ ├── S66by10_9_0.7_monomerB.xyz │ │ │ ├── S66by10_9_0.8_dimer.xyz │ │ │ ├── S66by10_9_0.8_dimer.xyz.com │ │ │ ├── S66by10_9_0.8_monomerA.xyz │ │ │ ├── S66by10_9_0.8_monomerB.xyz │ │ │ ├── S66by10_9_0.95_dimer.xyz │ │ │ ├── S66by10_9_0.95_dimer.xyz.com │ │ │ ├── S66by10_9_0.95_monomerA.xyz │ │ │ ├── S66by10_9_0.95_monomerB.xyz │ │ │ ├── S66by10_9_0.9_dimer.xyz │ │ │ ├── S66by10_9_0.9_dimer.xyz.com │ │ │ ├── S66by10_9_0.9_monomerA.xyz │ │ │ ├── S66by10_9_0.9_monomerB.xyz │ │ │ ├── S66by10_9_1.05_dimer.xyz │ │ │ ├── S66by10_9_1.05_dimer.xyz.com │ │ │ ├── S66by10_9_1.05_monomerA.xyz │ │ │ ├── S66by10_9_1.05_monomerB.xyz │ │ │ ├── S66by10_9_1.0_dimer.xyz │ │ │ ├── S66by10_9_1.0_dimer.xyz.com │ │ │ ├── S66by10_9_1.0_monomerA.xyz │ │ │ ├── S66by10_9_1.0_monomerB.xyz │ │ │ ├── S66by10_9_1.1_dimer.xyz │ │ │ ├── S66by10_9_1.1_dimer.xyz.com │ │ │ ├── S66by10_9_1.1_monomerA.xyz │ │ │ ├── S66by10_9_1.1_monomerB.xyz │ │ │ ├── S66by10_9_1.25_dimer.xyz │ │ │ ├── S66by10_9_1.25_dimer.xyz.com │ │ │ ├── S66by10_9_1.25_monomerA.xyz │ │ │ ├── S66by10_9_1.25_monomerB.xyz │ │ │ ├── S66by10_9_1.5_dimer.xyz │ │ │ ├── S66by10_9_1.5_dimer.xyz.com │ │ │ ├── S66by10_9_1.5_monomerA.xyz │ │ │ ├── S66by10_9_1.5_monomerB.xyz │ │ │ ├── S66by10_9_2.0_dimer.xyz │ │ │ ├── S66by10_9_2.0_dimer.xyz.com │ │ │ ├── S66by10_9_2.0_monomerA.xyz │ │ │ ├── S66by10_9_2.0_monomerA.xyz.com │ │ │ ├── S66by10_9_2.0_monomerB.xyz │ │ │ └── S66by10_9_2.0_monomerB.xyz.com │ │ ├── benchmark_data.csv │ │ └── ref_QM_data.csv │ ├── b2_opt.xyz │ ├── bz.xyz │ ├── citralOCopeALL.xyz │ ├── claisen_rearrangement_sigmatropic.xyz │ ├── ethane_dehydro_final.xyz │ ├── ethane_dehydro_initial.xyz │ └── water.xyz ├── ensemble_molecular_dynamics.ipynb ├── geometry_and_thermochemistry.ipynb ├── mopac.mop ├── neb.traj ├── nebM.traj ├── nglview.ipynb ├── nglview │ ├── 2bl9.pdb │ ├── ANI_IRC-DA.xyz │ ├── ase_bz.traj │ ├── sd.pdb │ ├── tz2.nc │ └── tz2.parm7 ├── old_examples │ ├── ANI-D3_intermolecular_complex.ipynb │ ├── IRC_test.ipynb │ └── molecular_dynamics.ipynb └── reaction_PES.ipynb └── lib ├── IRC.py ├── ase_interface.py ├── ase_mc_npt.py ├── hessian.py ├── libAEV.so ├── libAtomicNNP.so ├── libNeuroChem.so ├── libboost_numpy.so ├── libboost_numpy.so.1.63.0 ├── libboost_numpy3.so ├── 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