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  1. WS2 phase diagram

    .html

    Phase diagram of WS2; eabovehull: 0.000000 eV/atom; predicted_stable: True

    12d
  2. ws2-initial-bulk - relaxed

    .cif

    Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -2368.1655 eV; energy change = -4.7832 eV; symmetry: P-6m2 → P3m1

    12d
  3. ws2-initial-bulk

    .cif
    12d
  4. ws2-600k 2l S vac 3x - relaxed

    .cif

    Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -1684.2686 eV; energy change = -0.0681 eV; symmetry: P1 → P1

    13d
  5. ws2-600k 2l S vac 3x

    .cif
    13d
  6. Bilayer WS2 300 K

    .traj
    13d
  7. WS2 300 K trajectory – MatterViz trajectory viewer

    .html

    Standalone, embeddable HTML with MatterViz Trajectory viewer

    14d
  8. WS2 300 K trajectory

    .traj
    14d

@mmoderwell-matter42

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