general_description: |
  The record contains raw data pertinent to the publication:
  On-Surface Synthesis of Tailored Organic Platforms for Single Metal Atoms. Amogh Kinikar, Xiushang Xu, Takatsugu Onishi, Andres Ortega-Guerrero, Roland Widmer, Nicola Zema, Conor Hogan, Luca Camilli, Luca Persichetti, Carlo A. Pignedoli, Roman Fasel, Akimitsu Narita, Marco Di Giovannantonio. Nat. Commun. x-x (2025)
  DOI: x.x
calculations.aiida:
  description: |
    Full calculation provenance provided by an archive of AiiDA nodes.
    See https://www.materialscloud.org/ and http://www.aiida.net/.
Figure_1:
  description: Folder containing files related to <Figure_1>
  content:
  - d_STM-Igor.txt
  - auto_d_STM-Igor.csv
  d_STM-Igor.txt:
    location: data/Figure_1
    description: |
      The file contains the data for the STM image related to Figure_1 d
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_d_STM-Igor.csv:
    location: data/Figure_1
    description: data content of d_STM-Igor.txt in csv format
Figure_S1:
  description: Folder containing files related to <Figure_S1>
  content:
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  - f_STM-Igor.txt
  - auto_f_STM-Igor.csv
  - d_STM-Igor.txt
  - auto_d_STM-Igor.csv
  - c_STM-Igor.txt
  - auto_c_STM-Igor.csv
  - b_STM-Igor.txt
  - auto_b_STM-Igor.csv
  - e_STM-Igor.txt
  - auto_e_STM-Igor.csv
  a_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of a_STM-Igor.txt in csv format
  f_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 f
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_f_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of f_STM-Igor.txt in csv format
  d_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 d
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_d_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of d_STM-Igor.txt in csv format
  c_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 c
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_c_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of c_STM-Igor.txt in csv format
  b_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 b
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_b_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of b_STM-Igor.txt in csv format
  e_STM-Igor.txt:
    location: data/Figure_S1
    description: |
      The file contains the data for the STM image related to Figure_S1 e
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_e_STM-Igor.csv:
    location: data/Figure_S1
    description: data content of e_STM-Igor.txt in csv format
Gaussian_calculations:
  description: Folder containing files related to <Gaussian_calculations>
  content:
  - gasphase_CALCS-GAUSSIAN.tgz
  gasphase_CALCS-GAUSSIAN.tgz:
    location: data/Gaussian_calculations
    description: |
      The file contains the data for the calculations related to Gaussian_calculations gasphase
      The calculations were done with Gaussian (www.gaussian.com)
      the file is a compressed tar archive. Details on how the data were obtained are provided in: x.x
Figure_5:
  description: Folder containing files related to <Figure_5>
  content:
  - c_AFM-Igor.txt
  - auto_c_AFM-Igor.csv
  - d_AFM-Igor.txt
  - auto_d_AFM-Igor.csv
  - b_AFM-Igor.txt
  - auto_b_AFM-Igor.csv
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  c_AFM-Igor.txt:
    location: data/Figure_5
    description: |
      The file contains the data for the AFM image related to Figure_5 c
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_c_AFM-Igor.csv:
    location: data/Figure_5
    description: data content of c_AFM-Igor.txt in csv format
  d_AFM-Igor.txt:
    location: data/Figure_5
    description: |
      The file contains the data for the AFM image related to Figure_5 d
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_d_AFM-Igor.csv:
    location: data/Figure_5
    description: data content of d_AFM-Igor.txt in csv format
  b_AFM-Igor.txt:
    location: data/Figure_5
    description: |
      The file contains the data for the AFM image related to Figure_5 b
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_b_AFM-Igor.csv:
    location: data/Figure_5
    description: data content of b_AFM-Igor.txt in csv format
  a_STM-Igor.txt:
    location: data/Figure_5
    description: |
      The file contains the data for the STM image related to Figure_5 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_5
    description: data content of a_STM-Igor.txt in csv format
Figure_2:
  description: Folder containing files related to <Figure_2>
  content:
  - c_AFM-Igor.txt
  - auto_c_AFM-Igor.csv
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  - f_STM-Igor.txt
  - auto_f_STM-Igor.csv
  - h_AFM-Igor.txt
  - auto_h_AFM-Igor.csv
  - f_AFM-Igor.txt
  - auto_f_AFM-Igor.csv
  - a_AFM-Igor.txt
  - auto_a_AFM-Igor.csv
  c_AFM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the AFM image related to Figure_2 c
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_c_AFM-Igor.csv:
    location: data/Figure_2
    description: data content of c_AFM-Igor.txt in csv format
  a_STM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the STM image related to Figure_2 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_2
    description: data content of a_STM-Igor.txt in csv format
  f_STM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the STM image related to Figure_2 f
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_f_STM-Igor.csv:
    location: data/Figure_2
    description: data content of f_STM-Igor.txt in csv format
  h_AFM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the AFM image related to Figure_2 h
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_h_AFM-Igor.csv:
    location: data/Figure_2
    description: data content of h_AFM-Igor.txt in csv format
  f_AFM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the AFM image related to Figure_2 f
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_f_AFM-Igor.csv:
    location: data/Figure_2
    description: data content of f_AFM-Igor.txt in csv format
  a_AFM-Igor.txt:
    location: data/Figure_2
    description: |
      The file contains the data for the AFM image related to Figure_2 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_AFM-Igor.csv:
    location: data/Figure_2
    description: data content of a_AFM-Igor.txt in csv format
Figure_4:
  description: Folder containing files related to <Figure_4>
  content:
  - d_AFM-Igor.txt
  - auto_d_AFM-Igor.csv
  - g_STM-Igor.txt
  - auto_g_STM-Igor.csv
  - b_AFM-Igor.txt
  - auto_b_AFM-Igor.csv
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  d_AFM-Igor.txt:
    location: data/Figure_4
    description: |
      The file contains the data for the AFM image related to Figure_4 d
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_d_AFM-Igor.csv:
    location: data/Figure_4
    description: data content of d_AFM-Igor.txt in csv format
  g_STM-Igor.txt:
    location: data/Figure_4
    description: |
      The file contains the data for the STM image related to Figure_4 g
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_g_STM-Igor.csv:
    location: data/Figure_4
    description: data content of g_STM-Igor.txt in csv format
  b_AFM-Igor.txt:
    location: data/Figure_4
    description: |
      The file contains the data for the AFM image related to Figure_4 b
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_b_AFM-Igor.csv:
    location: data/Figure_4
    description: data content of b_AFM-Igor.txt in csv format
  a_STM-Igor.txt:
    location: data/Figure_4
    description: |
      The file contains the data for the STM image related to Figure_4 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_4
    description: data content of a_STM-Igor.txt in csv format
Figure_S2:
  description: Folder containing files related to <Figure_S2>
  content:
  - c_AFM-Igor.txt
  - auto_c_AFM-Igor.csv
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  - a_AFM-Igor.txt
  - auto_a_AFM-Igor.csv
  c_AFM-Igor.txt:
    location: data/Figure_S2
    description: |
      The file contains the data for the AFM image related to Figure_S2 c
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_c_AFM-Igor.csv:
    location: data/Figure_S2
    description: data content of c_AFM-Igor.txt in csv format
  a_STM-Igor.txt:
    location: data/Figure_S2
    description: |
      The file contains the data for the STM image related to Figure_S2 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_S2
    description: data content of a_STM-Igor.txt in csv format
  a_AFM-Igor.txt:
    location: data/Figure_S2
    description: |
      The file contains the data for the AFM image related to Figure_S2 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_AFM-Igor.csv:
    location: data/Figure_S2
    description: data content of a_AFM-Igor.txt in csv format
Figure_S3:
  description: Folder containing files related to <Figure_S3>
  content:
  - c_AFM-Igor.txt
  - auto_c_AFM-Igor.csv
  - e_AFM-Igor.txt
  - auto_e_AFM-Igor.csv
  - b_AFM-Igor.txt
  - auto_b_AFM-Igor.csv
  - a_STM-Igor.txt
  - auto_a_STM-Igor.csv
  c_AFM-Igor.txt:
    location: data/Figure_S3
    description: |
      The file contains the data for the AFM image related to Figure_S3 c
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_c_AFM-Igor.csv:
    location: data/Figure_S3
    description: data content of c_AFM-Igor.txt in csv format
  e_AFM-Igor.txt:
    location: data/Figure_S3
    description: |
      The file contains the data for the AFM image related to Figure_S3 e
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_e_AFM-Igor.csv:
    location: data/Figure_S3
    description: data content of e_AFM-Igor.txt in csv format
  b_AFM-Igor.txt:
    location: data/Figure_S3
    description: |
      The file contains the data for the AFM image related to Figure_S3 b
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_b_AFM-Igor.csv:
    location: data/Figure_S3
    description: data content of b_AFM-Igor.txt in csv format
  a_STM-Igor.txt:
    location: data/Figure_S3
    description: |
      The file contains the data for the STM image related to Figure_S3 a
      The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv
      the file is in ASCII format.  Details on how the data were obtained are provided in: x.x
  auto_a_STM-Igor.csv:
    location: data/Figure_S3
    description: data content of a_STM-Igor.txt in csv format