Preview

MABs_MLIP_data
- MABs_structures
  - VASP_0K_relaxation
    - Ta-MABs
      - Ta2AlB2.vasp
        1.4 kB
      - Ta3AlB4.vasp
        1.2 kB
      - TaAlB.vasp
        1.6 kB
    - Ti-MABs
      - Ti2AlB2.vasp
        1.4 kB
      - Ti3AlB4.vasp
        1.2 kB
      - TiAlB.vasp
        1.6 kB
    - W-MABs
      - W2AlB2.vasp
        1.4 kB
      - W3AlB4.vasp
        1.2 kB
      - WAlB.vasp
        1.6 kB
  - VASP_AIMD_equilibration
    - Ta-MABs
      - Ta2AlB2_supercell_equlibrated_at_1200K.vasp
        44.2 kB
      - Ta2AlB2_supercell_equlibrated_at_300K.vasp
        44.2 kB
      - Ta3AlB4_supercell_equlibrated_at_1200K.vasp
        35.4 kB
      - Ta3AlB4_supercell_equlibrated_at_300K.vasp
        35.4 kB
      - TaAlB_supercell_equlibrated_at_1200K.vasp
        53.0 kB
      - TaAlB_supercell_equlibrated_at_300K.vasp
        53.0 kB
    - Ti-MABs
      - Ti2AlB2_supercell_equlibrated_at_1200K.vasp
        44.2 kB
      - Ti2AlB2_supercell_equlibrated_at_300K.vasp
        44.2 kB
      - Ti4AlB4_supercell_equlibrated_at_1200K.vasp
        35.4 kB
      - Ti4AlB4_supercell_equlibrated_at_300K.vasp
        35.4 kB
      - TiAlB_supercell_equlibrated_at_1200K.vasp
        53.0 kB
      - TiAlB_supercell_equlibrated_at_300K.vasp
        53.0 kB
    - W-MABs
      - W2AlB2_supercell_equlibrated_at_1200K.vasp
        44.2 kB
      - W2AlB2_supercell_equlibrated_at_300K.vasp
        44.2 kB
      - W3AlB4_supercell_equlibrated_at_1200K.vasp
        35.4 kB
      - W3AlB4_supercell_equlibrated_at_300K.vasp
        35.4 kB
      - WAlB_supercell_equlibrated_at_1200K.vasp
        53.0 kB
      - WAlB_supercell_equlibrated_at_300K.vasp
        53.0 kB
- MLIPs
  - Ta-MABs
    - MLIP
      29.2 kB
    - training_set
      125.1 MB
  - Ti-MABs
    - MLIP
      29.3 kB
    - training_set
      105.3 MB
  - W-MABs
    - MLIP
      29.2 kB
    - training_set
      100.6 MB
- README
  1.1 kB
- Raw_data_from_tables
  - Tab_1.txt
    4.2 kB
  - Tab_2.txt
    1.6 kB
  - Tab_3.txt
    1.6 kB

MABs_MLIP_data.zip