base_model_loc: ./resources/GDY_tri.msi
element_table_loc: resources/element_table.yaml
adsorbate_table_loc: resources/ads_table.yaml
potentials_loc: resources/Potentials
export_loc: GDY_TAC_models
coord_sites:
  - name: c1
    atom_id: 41
  - name: c2
    atom_id: 42
  - name: c3
    atom_id: 54
  - name: c4
    atom_id: 53
  - name: FR
    atom_id: 52
  - name: NR
    atom_id: 40
  - name: M
    atom_id: 73
coord_cases:
  - name: double
    cases: [[41,42], [42,54], [54,53], [53,52], [41, 40], [41, 73], [42, 73]]
  - name: single
    cases: [[41, null], [42, null], [54, null], [53, null], [52, null], [40, null], [73, null]]