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@mmoderwell-matter42

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    1. WS2 phase diagram

      .html

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

      2mo
    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

      2mo
    3. ws2-initial-bulk

      .cif
      2mo
    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

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

      .cif
      2mo
    6. Bilayer WS2 300 K

      .traj
      2mo
    7. WS2 300 K trajectory – MatterViz trajectory viewer

      .html

      Standalone, embeddable HTML with MatterViz Trajectory viewer

      2mo
    8. WS2 300 K trajectory

      .traj
      2mo
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