-------------------------------------------------------------------
--- define chem. and vib. properties for different atomic sites ---
-------------------------------------------------------------------
  3                             NSITE: number of different site types
-   site type 1 ---
   0.0000   0.0000              
   1.0000   0.0560              Occ & VibAmp for Ir in Ir_surf site
   0.0000   0.0000              
-   site type 2 ---
   1.0000   0.1500              Occ & VibAmp for O in O_ads site
   0.0000   0.0000              
   0.0000   0.0000              
-   site type 3 ---
   0.0000   0.0000              
   0.0000   0.0000              
   1.0000   0.0430              Occ & VibAmp for Ir in Ir_def site
-------------------------------------------------------------------
--- define different layer types                                ---
-------------------------------------------------------------------
  7                             NLTYPE: number of different layer types
-   layer type 1 ---
  1                             LAY = 1: layer type no. 1 has overlayer lateral periodicity
  3                             number of Bravais sublayers in layer 1
  2   0.0000   0.0000   0.0000  Atom N=1 (O)
  1   1.1504   4.0674   0.0000  Atom N=2 (Ir)
  1   1.1504   1.3558   0.0000  Atom N=3 (Ir)
-   layer type 2 ---
  1                             LAY = 1: layer type no. 2 has overlayer lateral periodicity
  2                             number of Bravais sublayers in layer 2
  3   0.0000   0.0000   1.3558  Atom N=4 (Ir)
  3   0.0000   2.7116   1.3558  Atom N=5 (Ir)
-   layer type 3 ---
  1                             LAY = 1: layer type no. 3 has overlayer lateral periodicity
  2                             number of Bravais sublayers in layer 3
  3   0.0000   4.0674   0.0000  Atom N=6 (Ir)
  3   0.0000   1.3558   0.0000  Atom N=7 (Ir)
-   layer type 4 ---
  1                             LAY = 1: layer type no. 4 has overlayer lateral periodicity
  2                             number of Bravais sublayers in layer 4
  3   0.0000   0.0000   1.3558  Atom N=8 (Ir)
  3   0.0000   2.7116   1.3558  Atom N=9 (Ir)
-   layer type 5 ---
  1                             LAY = 1: layer type no. 5 has overlayer lateral periodicity
  2                             number of Bravais sublayers in layer 5
  3   0.0000   4.0674   0.0000  Atom N=10 (Ir)
  3   0.0000   1.3558   0.0000  Atom N=11 (Ir)
-   layer type 6 ---
  1                             LAY = 1: layer type no. 6 has overlayer lateral periodicity
  2                             number of Bravais sublayers in layer 6
  3   0.0000   0.0000   1.3558  Atom N=12 (Ir)
  3   0.0000   2.7116   1.3558  Atom N=13 (Ir)
-   layer type 7 ---
  2                             LAY = 2: layer type no. 7 has bulk lateral periodicity
  1                             number of Bravais sublayers in layer 7
  3   0.0000   0.0000   0.0000  Atom N=14 (Ir)
-------------------------------------------------------------------
--- define bulk stacking sequence                               ---
-------------------------------------------------------------------
  0                             TSLAB = 0: compute bulk using layer doubling
   1.9174   1.3558  -1.3558     ASA interlayer vector between different bulk units
  7                             top layer of bulk unit: layer type 7
  7                             bottom layer of bulk unit: layer type 7
   1.9174   1.3558  -1.3558     ASBULK between the two bulk unit layers (may differ from ASA)
-------------------------------------------------------------------
--- define layer stacking sequence and Tensor LEED output       ---
-------------------------------------------------------------------
  6                             NSTACK: number of layers stacked onto bulk
  6   1.9174   1.3558   0.0000  layer 6: layer type 6, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_12                            Tensor file name, current layer, sublayer 1
T_13                            Tensor file name, current layer, sublayer 2
  5   1.9174   0.0000   0.0000  layer 5: layer type 5, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_10                            Tensor file name, current layer, sublayer 1
T_11                            Tensor file name, current layer, sublayer 2
  4   1.9174   0.0000   0.0000  layer 4: layer type 4, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_8                             Tensor file name, current layer, sublayer 1
T_9                             Tensor file name, current layer, sublayer 2
  3   1.9174   0.0000   0.0000  layer 3: layer type 3, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_6                             Tensor file name, current layer, sublayer 1
T_7                             Tensor file name, current layer, sublayer 2
  2   1.9174   0.0000   0.0000  layer 2: layer type 2, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_4                             Tensor file name, current layer, sublayer 1
T_5                             Tensor file name, current layer, sublayer 2
  1   1.9174   0.0000   0.0000  layer 1: layer type 1, interlayer vector below
  1                             0/1: Tensor output is required for this layer (TENSOR_OUTPUT)
T_1                             Tensor file name, current layer, sublayer 1
T_2                             Tensor file name, current layer, sublayer 2
T_3                             Tensor file name, current layer, sublayer 3
-------------------------------------------------------------------
--- end geometrical input                                       ---
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