Preview

OS
- 1DFTUV_INPUTS
  - LMPO_x0.25.in
    
    3.6 kB
  - LMPO_x0.50.in
    
    4.1 kB
  - LMPO_x0.75.in
    
    4.1 kB
  - LMPO_x0.in
    
    3.7 kB
  - LMPO_x1.in
    
    4.2 kB
- 2TRAINING_TRAJECTORIES
  - training_types.extxyz
    
    7.4 MB
  - training_types_total_T400K.extxyz
    
    35.5 MB
  - training_types_total_T900K.extxyz
    
    29.8 MB
- 3COMBINATORIAL_SEARCHES
  - FIG_4_A
    - 1INITIAL_STATE_A
      - 1-DFTUVconf1948_1011_x025_T900_stateA.extxyz
        
        3.1 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        12.6 kB
      - 3-ML-EVALUATION.extxyz
        
        13.4 kB
    - 2FINAL_STATE_B
      - 1-DFTUVconf2034_0111_x025_T900_stateB.extxyz
        
        3.1 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        12.6 kB
      - 3-ML-EVALUATION.extxyz
        
        13.4 kB
  - FIG_4_B
    - 1INITIAL_STATE_A
      - 1-DFTUVconf1380_0010_x075_T900_stateA.extxyz
        
        3.4 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        13.5 kB
      - 3-ML-EVALUATION.extxyz
        
        14.4 kB
    - 2FINAL_STATE_B
      - 1DFTUV-conf1420_1000_x075_T900_stateB.extxyz
        
        3.4 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        13.5 kB
      - 3-ML-EVALUATION.extxyz
        
        14.4 kB
  - FIG_4_C
    - 1INITIAL_STATE_A
      - 1-DFTUV-conf1254_1001_x05_T900_stateA.extxyz
        
        3.3 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        19.5 kB
      - 3-ML-EVALUATION.extxyz
        
        20.9 kB
    - 2FINAL_STATE_B
      - 1-DFTUV-conf1451_0110_x05_T900_stateB.extxyz
        
        3.3 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        19.5 kB
      - 3-ML-EVALUATION.extxyz
        
        20.9 kB
  - FIG_4_D
    - 1INITIAL_STATE_A
      - 1-DFTUV-conf1977_1001_x05_T800_stateA.extxyz
        
        3.3 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        19.5 kB
      - 3-ML-EVALUATION.extxyz
        
        20.9 kB
    - 2FINAL_STATE_B
      - 1-DFTUV-conf2077_0110_x05_T800_stateB.extxyz
        
        3.3 kB
      - 2-COMBINATORIAL-INPUT.extxyz
        
        19.5 kB
      - 3-ML-EVALUATION.extxyz
        
        20.9 kB
  - FIG_5_B
    - 1-DFTUV-conf28-01011011_h038_stateA.extxyz
      
      341.6 kB
    - 2-COMBINATORIAL-INPUT.extxyz
      
      341.6 kB
    - 3-ML-EVALUATION.extxyz
      
      365.7 kB
  - FIG_5_C
    - 1-DFTUV-conf41_11100011_x038_stateB.extxyz
      
      341.7 kB
    - 2-COMBINATORIAL-INPUT.extxyz
      
      341.7 kB
    - 3-ML-EVALUATION.extxyz
      
      365.7 kB

OS.zip