Preview

DB
- Cubic
  - 57_atoms
    - box.raw
      
      1.6 MB
    - coord.raw
      
      30.5 MB
    - energy.raw
      
      185.5 kB
    - force.raw
      
      31.1 MB
    - type.raw
      
      115 Bytes
    - virial.raw
      
      1.6 MB
  - 98_atoms
    - box.raw
      
      366.3 kB
    - coord.raw
      
      12.0 MB
    - energy.raw
      
      42.3 kB
    - force.raw
      
      12.2 MB
    - type.raw
      
      197 Bytes
    - virial.raw
      
      373.5 kB
- Disordered
  - DFT
    - box.raw
      
      9.1 MB
    - coord.raw
      
      439.9 MB
    - energy.raw
      
      1.2 MB
    - force.raw
      
      442.0 MB
    - virial.raw
      
      12.2 MB
  - Metadynamics
    - box.raw
      
      1.3 MB
    - coord.raw
      
      67.6 MB
    - energy.raw
      
      171.8 kB
    - force.raw
      
      67.6 MB
    - virial.raw
      
      1.9 MB
  - NN
    - box.raw
      
      9.6 MB
    - coord.raw
      
      455.3 MB
    - energy.raw
      
      1.2 MB
    - force.raw
      
      457.8 MB
    - virial.raw
      
      12.6 MB
- Hexagonal
  - box.raw
    
    1.8 MB
  - coord.raw
    
    64.3 MB
  - energy.raw
    
    206.3 kB
  - force.raw
    
    65.6 MB
  - type.raw
    
    217 Bytes
  - virial.raw
    
    1.8 MB
- README.txt
  
  1.6 kB
- basis_pseudopotentials
  - basis_set
    
    2.5 kB
  - pseudopotentials
    
    1.2 kB