2:
  "L-shaped":
    - "bent"
    -
      "TA": 0.5
      "IGW_TA": 15.15
  "water-like":
    - "bent"
    -
      "TA": 0.5802777777777778
      "IGW_TA": 13.95
  "bent 120 degrees":
    - "bent"
    -
      "TA": 0.666666666667
      "IGW_TA": 13.25
  "bent 150 degrees":
    - "bent"
    -
      "TA": 0.833333333333333
      "IGW_TA": 12.45
  "linear":
    - "bent"
    -
      "TA": 1
      "IGW_TA": 8.667
3:
  "trigonal planar":
    - "tri_plan_max"
  "trigonal non-coplanar":
    - "tet_max"
    -
      "TA": 0.6081734479693927
      "IGW_TA": 18.33
      "fac_AA": 1.5
      "exp_cos_AA": 2
  "T-shaped":
    - "T"
4:
  "square co-planar":
    - "sq_plan_max"
  "tetrahedral":
    - "tet_max"
  "rectangular see-saw-like":
    - "see_saw_rect"
  "see-saw-like":
    - "tri_bipyr"
    -
      "min_SPP": 2.356194490192345
      "IGW_EP": 15.75
      "IGW_SPP": 12.75
      "fac_AA": 1.5
      "exp_cos_AA": 2
      "w_SPP": 1
  "trigonal pyramidal":
    - "tri_pyr"
5:
  "pentagonal planar":
    - "pent_plan_max"
  "square pyramidal":
    - "sq_pyr"
  "trigonal bipyramidal":
    - "tri_bipyr"
6:
  "hexagonal planar":
    - "hex_plan_max"
  "octahedral":
    - "oct_max"
  "pentagonal pyramidal":
    - "pent_pyr"
7:
  "hexagonal pyramidal":
    - "hex_pyr"
  "pentagonal bipyramidal":
    - "pent_bipyr"
8:
  "body-centered cubic":
    - "bcc"
  "hexagonal bipyramidal":
    - "hex_bipyr"
12:
  "cuboctahedral":
    - "cuboct_max"
