Preview

__MACOSX
- optimized structures
  - ._.DS_Store
    
    120 Bytes
  - DFT
    - ._MIL-53_geom-opt.json
      
      1.1 kB
    - ._MOF-5_geom-opt.json
      
      1.0 kB
    - ._MOF-74_geom-opt.json
      
      1.0 kB
    - ._UiO-66_geom-opt.json
      
      1.0 kB
  - GFN1-xTB
    - ._MIL-53.cif
      
      312 Bytes
    - ._MOF-5.cif
      
      1.0 kB
    - ._MOF-74.cif
      
      312 Bytes
    - ._geo-5.cif
      
      312 Bytes
  - MACE-MP-0b
    - ._MIL-53-opt.extxyz
      
      312 Bytes
    - ._MOF-5-opt.extxyz
      
      312 Bytes
    - ._MOF-74-opt.extxyz
      
      1.0 kB
    - ._UiO-66-opt.extxyz
      
      312 Bytes
  - MACE-MP-MOF0
    - ._MIL-53-opt.extxyz
      
      312 Bytes
    - ._MOF-5-opt.extxyz
      
      312 Bytes
    - ._MOF-74-opt.extxyz
      
      312 Bytes
    - ._UiO-66-opt.extxyz
      
      312 Bytes
  - MACE-MP-MOF0-v2
    - ._MIL-53-opt.extxyz
      
      312 Bytes
    - ._MOF-5-opt.extxyz
      
      312 Bytes
    - ._MOF-74-opt.extxyz
      
      312 Bytes
    - ._UiO-66-opt.extxyz
      
      312 Bytes
optimized structures
- .DS_Store
  
  8.2 kB
- DFT
  - MIL-53_geom-opt.json
    
    34.7 kB
  - MOF-5_geom-opt.json
    
    47.4 kB
  - MOF-74_geom-opt.json
    
    24.9 kB
  - UiO-66_geom-opt.json
    
    51.3 kB
- GFN1-xTB
  - MIL-53.cif
    
    3.6 kB
  - MOF-5.cif
    
    4.9 kB
  - MOF-74.cif
    
    2.6 kB
  - geo-5.cif
    
    5.2 kB
- MACE-MP-0b
  - MIL-53-opt.extxyz
    
    15.1 kB
  - MOF-5-opt.extxyz
    
    20.7 kB
  - MOF-74-opt.extxyz
    
    10.9 kB
  - UiO-66-opt.extxyz
    
    22.2 kB
- MACE-MP-MOF0
  - MIL-53-opt.extxyz
    
    15.1 kB
  - MOF-5-opt.extxyz
    
    20.7 kB
  - MOF-74-opt.extxyz
    
    11.0 kB
  - UiO-66-opt.extxyz
    
    22.2 kB
- MACE-MP-MOF0-v2
  - MIL-53-opt.extxyz
    
    15.1 kB
  - MOF-5-opt.extxyz
    
    20.7 kB
  - MOF-74-opt.extxyz
    
    11.0 kB
  - UiO-66-opt.extxyz
    
    22.2 kB

optimized structures.zip